data_1udm_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1udm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.751 0.31 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.89 139.11 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.3 m-20 -81.16 46.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASP . 5.8 mtpm? -23.07 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -53.06 -59.72 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.2 -36.13 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 m -60.49 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 16.1 ttm180 -40.01 -43.83 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.95 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.24 -19.37 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 53.8 m-20 -91.25 -46.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -46.41 -20.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 68' ' ' PHE . 2.3 p -108.72 -36.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.513 HH12 ' ND2' ' A' ' 114' ' ' ASN . 0.4 OUTLIER -66.03 -28.5 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 32' ' ' ILE . 86.3 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.835 0.35 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' N ' HG11 ' A' ' 31' ' ' VAL . 6.8 pt -119.31 -21.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.2 p-90 -134.58 158.32 44.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 68' ' ' PHE . 12.3 p -159.38 136.75 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -108.69 149.41 29.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 36.9 m-85 -127.27 98.31 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -99.89 171.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE1' HG12 ' A' ' 43' ' ' ILE . 87.0 m-85 -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -119.78 11.91 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.65 69.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.88 26.1 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -158.03 115.69 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.525 HG12 ' CE1' ' A' ' 38' ' ' TYR . 40.4 mt -64.68 127.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG13 ' CG ' ' A' ' 13' ' ' ASP . 18.9 m -140.29 144.78 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 16' ' ' ALA . 53.8 Cg_exo -52.12 111.55 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.779 2.319 . . . . 0.0 112.295 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.61 -103.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.51 170.27 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -167.75 139.12 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.9 174.7 42.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' O ' HD13 ' A' ' 32' ' ' ILE . . . -96.04 -18.88 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -85.81 105.3 16.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 8.3 t80 -54.54 -28.36 45.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.41 -21.39 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -80.51 -27.43 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -75.2 -46.78 31.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.69 -23.19 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -78.35 1.86 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -109.26 -31.89 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CG ' ' A' ' 88' ' ' TRP . 40.1 m -80.9 117.38 21.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.412 HG23 ' C ' ' A' ' 59' ' ' CYS . 34.7 p -138.27 176.16 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.6 m-20 -75.2 4.72 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -120.48 20.1 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 65' ' ' LEU . 12.7 p -160.09 156.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -147.94 135.18 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -174.51 169.46 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CE1' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -86.77 156.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . . . -140.44 103.05 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD2' HG21 ' A' ' 112' ' ' VAL . 10.2 t80 -86.42 109.24 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 70' ' ' ARG . 41.2 t -117.33 143.12 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.572 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 18.0 ttt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 2.8 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.22 128.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.2 92.95 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 67' ' ' ALA . 30.2 mt -75.12 100.03 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.0 m -84.23 101.49 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CE3' HD22 ' A' ' 127' ' ' LEU . 59.6 t-105 -88.05 142.86 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 79.7 mt -149.14 99.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.98 134.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -77.44 8.36 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.67 -25.82 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.3 m -50.01 157.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 25.5 t -67.09 140.87 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.77 -50.32 1.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 99' ' ' ALA . 13.4 tp -44.44 -66.82 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 21.0 mt-30 -37.94 -41.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -73.65 -37.02 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -76.47 -21.19 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.8 mmmt -95.63 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 27.8 m -36.81 -37.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.8 -38.5 66.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' LYS . 54.8 m -68.76 -41.07 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.57 -4.82 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' CE ' ' HG3' ' A' ' 118' ' ' GLU . 19.3 ttmt -59.18 -35.28 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.6 m -56.26 -24.96 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mt -78.46 -51.47 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' CE1' ' A' ' 66' ' ' PHE . 38.8 t -62.18 -31.97 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -65.43 -34.4 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -45.32 -37.9 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.6 t -90.9 -39.66 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 68' ' ' PHE . 54.5 t -95.24 99.73 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.19 -32.04 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.513 ' ND2' HH12 ' A' ' 25' ' ' ARG . 4.0 t30 -68.14 -27.16 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.4 -170.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.7 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 44.6 tttt -161.08 164.65 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.2 pm0 -90.71 125.62 35.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -100.33 104.9 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.89 100.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 10.3 mt -110.73 145.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -19.72 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -116.15 126.85 54.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -51.48 -36.23 43.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -52.23 -15.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.59 -18.18 14.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.563 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.2 mm? -67.92 -13.6 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 130' ' ' ASP . 5.1 mt-10 -50.01 105.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tt0 -38.65 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 128' ' ' GLU . 74.7 m-20 -59.66 -46.17 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 128' ' ' GLU . 30.8 t80 -67.48 -36.8 81.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.7 mm -59.96 -50.71 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.443 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -49.11 -57.44 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.0 m -41.58 -42.29 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.756 0.312 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.7 tt -140.04 153.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 14' ' ' LYS . 6.6 t0 -89.03 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 13' ' ' ASP . 23.5 mtpt -22.41 -49.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -54.98 -58.15 8.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.52 -37.06 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.491 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 56.6 m -59.56 -61.19 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 38.8 ttp180 -42.74 -43.03 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -65.3 -46.87 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.2 t80 -62.54 -30.3 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 24' ' ' VAL . 65.6 m-20 -75.86 -53.73 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -44.06 -21.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 68' ' ' PHE . 19.4 t -104.16 -31.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 5.1 ptt180 -72.76 -29.69 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.507 ' CG1' ' HG2' ' A' ' 48' ' ' GLN . 2.8 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 pt -120.04 -13.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 44.6 p-90 -146.96 159.7 43.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 11.1 p -155.61 149.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 47' ' ' ASP . 11.3 p -122.59 145.74 48.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 20.4 m-85 -123.62 97.8 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -98.91 -178.39 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -102.3 145.25 29.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 1.9 t70 -119.95 13.63 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 74.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.576 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.31 25.36 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -158.76 129.64 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.91 129.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 39' ' ' ASP . 34.8 m -142.9 144.45 29.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 102.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.22 -99.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . 2.2 m-20 -95.14 168.4 10.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 1.9 tt0 -169.12 149.07 4.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.93 177.58 42.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.7 10.18 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 2.0 m-20 -114.75 104.13 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 69' ' ' VAL . 2.9 t80 -52.64 -29.98 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.88 -24.25 64.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -77.95 -29.04 49.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -74.8 -45.08 45.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.1 -17.84 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.24 2.44 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -108.63 -29.07 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.8 m -79.62 117.82 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.406 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 33.1 p -131.24 173.55 10.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.88 7.0 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.74 18.04 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' CG1' ' H ' ' A' ' 60' ' ' THR . 12.7 p -153.91 159.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -151.6 135.22 16.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.64 161.81 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 108' ' ' VAL . 18.2 m-85 -76.78 152.79 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 34' ' ' VAL . . . -140.63 104.47 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 89.5 t80 -93.38 111.65 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 52' ' ' TYR . 22.9 t -117.71 149.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.0 m-85 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.66 128.88 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 11.9 tp -80.5 93.51 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.3 mt -73.84 99.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 119' ' ' PHE . 10.2 m -79.78 102.19 8.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.582 ' CZ3' HD21 ' A' ' 127' ' ' LEU . 59.3 t-105 -84.2 141.62 30.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 98' ' ' ARG . 60.2 mt -147.85 100.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -35.01 134.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -74.51 0.02 16.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -112.02 -13.96 13.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.7 160.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 95' ' ' GLY . 20.0 m -81.19 133.19 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.36 -43.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -60.62 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -55.68 -38.98 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 89' ' ' ILE . 34.8 ttt-85 -71.97 -27.43 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.44 -9.15 59.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.6 mmmt -95.48 -57.93 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 m -34.87 -39.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.27 -40.86 69.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 100' ' ' LYS . 97.1 m -68.29 -34.34 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.98 -5.98 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.456 ' CD ' ' HG3' ' A' ' 118' ' ' GLU . 20.0 ttpt -61.61 -35.56 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.3 m -55.55 -22.16 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.02 -52.86 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG23 ' CD1' ' A' ' 66' ' ' PHE . 61.0 t -57.75 -36.66 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -64.25 -31.57 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.54 -44.51 12.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 77.9 t -78.75 -51.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 p -94.9 97.83 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.87 -28.11 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' PHE . 1.3 p-10 -64.72 -26.4 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.18 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.67 -68.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.517 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 31.8 tttt -160.81 164.73 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -92.05 131.25 37.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.6 m-30 -102.77 110.43 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.21 99.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.467 HG22 ' CD2' ' A' ' 127' ' ' LEU . 1.4 mm -105.59 143.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.0 t -120.06 -16.36 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -127.08 131.83 50.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -52.17 -35.18 48.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -51.52 -19.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.8 mt-10 -100.81 -17.45 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.582 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 4.6 mm? -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.94 106.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -39.66 -33.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.25 -45.99 76.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.25 -35.31 75.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.3 -54.26 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.48 -55.25 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -42.81 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 7.7 tt -140.48 153.43 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -89.59 44.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.2 mtpp -24.61 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.7 mt-10 -56.42 -59.33 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.09 -32.23 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.33 -56.02 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 28.0 ttm180 -42.29 -41.26 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.78 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.513 ' CB ' HG22 ' A' ' 34' ' ' VAL . . . -66.29 -40.0 89.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 114' ' ' ASN . 0.6 OUTLIER -68.55 -16.83 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 76.5 m-20 -94.04 -43.15 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.0 mm? -49.35 -18.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -105.62 -38.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -30.07 70.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.0 -17.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.491 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 52.3 p-90 -139.1 164.8 28.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG22 ' CB ' ' A' ' 20' ' ' ALA . 11.5 p -160.86 146.41 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -117.34 154.58 31.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 43.8 m-85 -130.87 97.5 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.09 172.13 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.511 ' CE2' HG12 ' A' ' 43' ' ' ILE . 51.7 m-85 -95.8 144.08 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 7.3 t70 -109.9 10.68 24.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.66 -82.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.99 8.62 11.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -148.76 145.55 27.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 38' ' ' TYR . 14.6 mt -74.74 149.65 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' N ' HG21 ' A' ' 43' ' ' ILE . 18.1 m -157.85 146.4 14.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.07 120.06 6.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.89 -96.49 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -94.66 165.75 12.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -166.3 140.61 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.98 46.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.575 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.08 -25.78 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.8 107.99 11.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.4 t80 -55.48 -27.15 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -71.23 -20.32 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -80.15 -26.32 39.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -77.89 -39.5 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -70.95 -16.53 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -86.18 4.88 36.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -110.56 -31.29 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 52.4 m -79.77 116.56 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.425 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.8 p -132.83 175.73 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.14 3.17 13.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.75 20.03 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 65' ' ' LEU . 11.6 p -157.52 153.72 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.47 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -146.54 128.95 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.69 162.41 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.55 ' CE1' HG23 ' A' ' 108' ' ' VAL . 16.6 m-85 -79.39 155.36 28.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.72 105.95 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 15.4 t80 -92.45 111.66 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.435 HG22 ' CB ' ' A' ' 33' ' ' TRP . 66.8 t -115.85 148.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 32.9 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 25.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.29 130.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 118' ' ' GLU . 12.3 tp -87.96 88.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' ' 121' ' ' ILE . 18.0 mt -74.9 104.37 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.07 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 119' ' ' PHE . 25.7 m -84.5 102.94 13.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CE3' HD22 ' A' ' 127' ' ' LEU . 60.5 t-105 -85.22 142.93 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 76.5 mt -149.82 99.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.33 134.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.25 6.53 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.86 -29.18 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.0 m -49.95 151.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 12.4 t -68.72 141.97 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -36.58 -59.74 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -33.91 -61.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.46 -45.7 13.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLY . 23.3 ttt180 -70.28 -32.39 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.13 -16.37 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.36 -46.71 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -51.37 -40.61 59.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.46 -36.47 54.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.5 m -71.14 -35.21 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.403 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 66.5 m-20 -75.73 -1.06 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.97 -36.9 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -53.93 -25.36 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 107' ' ' LEU . 2.2 mt -80.53 -46.58 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' CE1' ' A' ' 66' ' ' PHE . 98.1 t -67.59 -24.61 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.44 -28.26 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.24 -50.08 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.83 -42.19 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -106.84 99.57 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.05 -20.95 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.468 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -76.54 -19.79 57.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.68 -167.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.84 -69.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.538 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 9.6 tttp -165.62 165.31 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.4 pp20? -85.61 123.22 30.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.8 m-30 -100.45 100.23 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.59 101.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 26.5 mt -113.54 142.17 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -117.61 -19.53 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.98 125.59 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -51.55 -36.71 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -53.54 -14.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.7 mt-10 -103.6 -17.08 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.548 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.0 mm? -68.27 -13.23 62.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -50.31 105.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 pt-20 -39.63 -34.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.404 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 1.6 m-20 -56.29 -45.79 80.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -66.61 -38.33 86.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 119' ' ' PHE . 24.0 mm -58.9 -47.33 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -50.93 -59.51 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -39.66 -38.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.7 tt -135.46 147.68 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.86 46.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 13' ' ' ASP . 29.4 mttm -22.22 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -53.13 -58.08 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.2 -35.4 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 37.3 m -61.05 -62.19 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 21.6 ttp180 -39.42 -46.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.15 -48.87 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' CB ' HG21 ' A' ' 34' ' ' VAL . . . -65.85 -44.38 85.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' CG1' ' A' ' 112' ' ' VAL . 1.9 t80 -63.31 -20.82 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 35.4 m-20 -85.23 -50.84 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -47.63 -19.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 68' ' ' PHE . 4.5 p -106.01 -33.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 21' ' ' TYR . 1.4 ttt180 -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 HG12 ' CG ' ' A' ' 48' ' ' GLN . 60.6 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.786 0.327 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.31 -21.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -135.64 162.19 33.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.507 HG21 ' CB ' ' A' ' 20' ' ' ALA . 8.5 p -158.94 150.67 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -123.67 148.4 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 50.2 m-85 -128.33 99.73 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.42 176.96 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.462 ' CE1' HG12 ' A' ' 43' ' ' ILE . 77.6 m-85 -98.77 141.8 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.57 14.75 12.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.19 72.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.35 27.12 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -157.48 110.4 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' A' ' 38' ' ' TYR . 16.9 mt -62.57 133.86 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 HG11 ' CG ' ' A' ' 13' ' ' ASP . 14.1 m -147.69 142.02 16.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.01 106.02 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.298 . . . . 0.0 112.318 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.49 -99.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.87 172.75 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 15.8 tt0 -171.05 155.55 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.62 174.6 36.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.22 -8.65 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.451 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -94.84 106.24 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.7 t80 -54.59 -28.67 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.38 -21.52 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -79.88 -27.17 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.549 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.81 -42.64 39.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.78 -16.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -85.56 3.52 40.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -108.12 -33.31 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.529 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.3 m -76.81 116.4 17.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.418 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 30.2 p -134.12 174.42 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -75.23 3.19 9.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -120.26 20.02 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 65' ' ' LEU . 10.7 p -159.09 151.27 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -144.95 130.47 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.28 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 108' ' ' VAL . 8.9 m-85 -86.75 155.11 20.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . . . -139.81 108.96 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 24' ' ' VAL . 4.0 t80 -98.64 111.91 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 HG13 ' CE2' ' A' ' 52' ' ' TYR . 12.4 t -121.71 153.88 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.859 0.362 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.79 133.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 tp -81.43 91.28 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.59 99.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' PHE . 18.4 m -82.34 99.84 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.4 t-105 -84.5 141.81 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 80.8 mt -148.77 100.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.11 133.34 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -75.63 6.56 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.406 . . . . 0.0 110.938 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -119.03 -23.31 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -50.46 149.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.5 t -70.83 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.61 -52.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD23 ' CG ' ' A' ' 100' ' ' LYS . 3.6 tt -39.15 -65.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.91 -45.82 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -68.77 -34.18 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.78 -18.65 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' CG ' HD23 ' A' ' 96' ' ' LEU . 6.0 mmpt? -95.93 -38.5 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -59.24 -37.18 76.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.84 -40.62 44.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.9 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.422 ' C ' HD12 ' A' ' 107' ' ' LEU . 11.6 m-20 -87.22 10.18 17.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -81.41 -32.45 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 9.0 m -59.49 -15.82 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.7 mp -84.1 -45.32 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.9 t -62.64 -39.34 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 110' ' ' GLU . 21.5 ttpt -61.24 -37.71 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 106' ' ' THR . 2.1 mm-40 -46.36 -48.64 18.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 97.3 t -70.52 -51.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' A' ' 112' ' ' VAL . 2.2 m -95.9 111.59 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -125.87 -25.92 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 115' ' ' PHE . 5.4 t-20 -64.07 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.1 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.22 -68.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 26.1 tttt -158.44 165.26 35.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pp20? -86.81 128.38 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 135' ' ' GLU . 8.0 m-30 -102.39 103.49 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.478 ' CG2' ' OE1' ' A' ' 118' ' ' GLU . 95.0 t -81.87 101.95 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 20.6 mt -112.86 142.81 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.25 -17.41 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -117.14 127.24 53.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -52.3 -37.82 56.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.37 -15.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.2 mt-10 -102.11 -19.34 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.573 HD21 ' CE3' ' A' ' 88' ' ' TRP . 2.9 mm? -65.97 -15.37 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.3 105.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.9 pt-20 -39.15 -34.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.42 -45.04 80.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.53 -38.97 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 31.1 mm -51.4 -49.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.95 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -40.07 -40.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 13.3 mm-40 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.735 0.302 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 12.2 tt -127.41 148.83 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -85.26 46.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 13' ' ' ASP . 43.5 mttt -25.52 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.6 mt-10 -57.9 -60.43 3.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.16 -33.26 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.02 -54.67 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 49.2 ttp180 -47.58 -35.38 9.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.92 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.11 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 1.1 t80 -62.1 -23.56 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 66.5 m-20 -86.53 -45.38 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.12 -17.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.3 t -107.52 -30.13 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 14.4 ptt85 -75.5 -30.75 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' A' ' 48' ' ' GLN . 2.0 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.14 -13.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 51.4 p-90 -142.49 141.73 32.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.62 121.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -94.29 152.74 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -132.35 98.78 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -100.86 174.71 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CE1' HG12 ' A' ' 43' ' ' ILE . 72.3 m-85 -93.3 145.92 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.8 16.94 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.67 70.69 0.3 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.69 27.22 4.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 m -161.5 117.47 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.408 HG12 ' CE1' ' A' ' 38' ' ' TYR . 22.7 mt -64.68 139.55 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG12 ' CG ' ' A' ' 13' ' ' ASP . 12.1 m -156.24 141.67 12.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.752 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.0 124.07 13.89 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.748 2.299 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.6 -99.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -81.72 163.09 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.491 ' CG ' HG13 ' A' ' 31' ' ' VAL . 18.2 tt0 -160.27 139.92 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.05 169.51 34.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 13.39 33.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 4.4 t0 -112.53 103.13 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.3 -29.57 24.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -69.56 -25.27 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.04 -30.12 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -75.08 -44.02 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.4 -17.47 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.19 0.95 46.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -108.25 -33.61 7.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.513 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.5 m -76.07 116.08 16.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.0 p -134.89 175.73 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.079 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.31 5.98 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 62' ' ' ASP . 24.5 t70 -120.86 19.64 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.488 HG22 ' CD1' ' A' ' 65' ' ' LEU . 8.2 p -161.46 152.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.478 ' NE ' ' HG2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -145.48 133.45 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.72 173.35 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE1' HG21 ' A' ' 108' ' ' VAL . 8.3 m-85 -89.91 162.43 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 106.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 70.0 t80 -92.02 106.77 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 33' ' ' TRP . 91.1 t -114.34 145.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 70' ' ' ARG . 1.7 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -176.74 127.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 3.6 tp -80.49 88.21 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.52 103.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -88.31 99.91 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CZ3' HD23 ' A' ' 127' ' ' LEU . 56.7 t-105 -82.15 142.88 31.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 61.7 mt -149.15 100.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.71 132.01 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.61 0.76 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -116.75 -20.19 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.52 147.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.9 t -67.45 142.87 56.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.99 -59.49 0.59 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.4 tt -33.83 -69.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.478 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 11.6 mp0 -41.44 -46.22 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.54 -33.18 74.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.15 -15.94 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -95.37 -39.42 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -54.42 -39.2 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.66 -37.46 45.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.5 m -70.14 -32.11 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.69 5.7 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.82 -33.86 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m -59.52 -20.54 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -83.14 -48.92 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.9 t -63.11 -30.6 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -68.47 -33.41 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 2.7 mm-40 -48.79 -42.18 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 85.6 t -86.58 -33.48 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 75.7 t -102.57 93.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -120.58 -32.21 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.58 -21.13 65.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -59.04 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.49 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.565 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 13.7 tttp -160.63 163.56 32.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pp20? -88.13 123.53 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.469 ' CD2' HG23 ' A' ' 132' ' ' ILE . 7.5 m-30 -99.02 100.58 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.35 101.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 22.4 mt -109.76 145.55 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 p -119.68 -16.92 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.454 ' CG ' ' NZ ' ' A' ' 125' ' ' LYS . 3.9 t0 -119.01 127.19 53.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -52.43 -36.86 55.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.454 ' NZ ' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -53.83 -14.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 18.9 mt-10 -102.62 -17.4 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.567 HD23 ' CZ3' ' A' ' 88' ' ' TRP . 4.0 mm? -68.19 -13.96 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.2 mt-10 -49.99 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' GLU . 7.0 pt-20 -36.53 -34.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.37 -48.69 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.98 -34.77 78.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.8 mm -62.45 -54.31 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -56.18 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 m -42.99 -37.88 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.61 152.67 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.7 t0 -91.13 43.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 13' ' ' ASP . 4.9 mtmp? -21.97 -50.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' ASP . 7.5 pt-20 -54.07 -56.97 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.64 -38.21 77.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.46 -59.03 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 19' ' ' ALA . 4.3 tmm_? -47.02 -41.04 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 18' ' ' ARG . . . -60.98 -47.47 86.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.91 81.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.516 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -66.47 -16.9 64.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.401 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 66.8 m-20 -91.23 -38.61 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -19.25 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 31' ' ' VAL . 38.4 t -104.34 -37.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -26.79 60.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.498 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.9 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.793 0.33 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.94 -14.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.489 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 p-90 -142.33 144.82 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -145.01 123.34 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -95.04 152.78 18.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.59 97.29 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 174.16 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -94.64 147.48 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 8.9 t0 -119.96 14.85 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 75.98 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.84 22.92 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.7 m -158.88 133.16 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.436 ' C ' HG13 ' A' ' 44' ' ' VAL . 26.5 mt -78.66 137.39 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG13 ' C ' ' A' ' 43' ' ' ILE . 32.7 m -149.84 140.92 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.01 116.9 3.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.301 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.98 -112.33 0.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.67 166.8 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' CG ' HG11 ' A' ' 31' ' ' VAL . 21.7 tt0 -163.05 140.9 7.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.02 171.86 35.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.95 -16.15 21.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 22.9 t0 -83.62 104.87 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.6 t80 -54.94 -29.07 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -68.66 -21.61 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -80.07 -27.54 39.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.489 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.34 -41.88 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.63 -16.68 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 4.8 mm-40 -85.64 3.01 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -109.1 -30.69 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -78.63 116.03 18.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.427 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 21.4 p -132.88 177.98 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.72 7.47 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.28 20.03 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 65' ' ' LEU . 11.9 p -157.39 153.77 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.692 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -146.95 126.14 12.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -163.15 168.83 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 108' ' ' VAL . 7.5 m-85 -87.69 161.84 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -147.79 109.51 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 72.3 t80 -95.2 107.14 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 t -113.17 144.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 14.9 ttt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.513 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 2.5 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.35 129.39 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD23 ' CG1' ' A' ' 108' ' ' VAL . 7.2 tp -81.49 94.77 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.0 99.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.8 m -81.64 100.61 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.562 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 60.2 t-105 -85.62 141.62 29.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.496 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 55.4 mt -147.97 100.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -35.35 136.29 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -77.93 9.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -116.07 -27.89 6.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.2 m -51.07 146.09 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.204 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLY . 23.2 t -61.39 141.02 57.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -37.17 -52.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.0 tt -39.68 -67.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -39.88 -48.22 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -65.61 -33.72 76.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -75.9 -17.72 59.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.466 ' CG ' HD22 ' A' ' 96' ' ' LEU . 5.3 mmpt? -95.17 -38.33 10.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -56.68 -32.41 65.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.89 -32.2 57.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.5 m -77.82 -40.84 39.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.44 -9.15 55.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -58.67 -35.76 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 19.0 m -58.24 -23.13 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 107' ' ' LEU . 5.3 mt -77.31 -50.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 66' ' ' PHE . 40.4 t -63.42 -30.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.448 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 1.5 tmmm? -65.91 -42.97 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LYS . 1.8 mm-40 -37.3 -39.33 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.3 -44.89 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 21' ' ' TYR . 89.0 t -90.58 98.73 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.17 -37.81 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 6.7 t30 -61.43 -29.18 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.05 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 -66.77 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.534 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 6.8 tttp -162.53 165.98 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -88.49 127.19 35.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.2 m-30 -101.28 106.75 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.6 t -83.38 100.44 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 31.5 mt -112.58 142.47 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.415 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.62 -17.14 8.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -117.14 126.9 53.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -51.9 -35.6 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -53.46 -15.77 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.9 mt-10 -103.48 -16.09 15.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.562 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 4.0 mm? -69.1 -14.12 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' PHE . 10.1 mt-10 -50.0 106.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 47.1 tt0 -39.33 -35.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -56.91 -44.06 82.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 35.2 t80 -67.84 -36.49 80.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.9 -48.75 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.98 -58.31 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.0 t -40.63 -39.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.727 0.299 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 tt -145.03 150.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -92.08 49.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 13' ' ' ASP . 28.8 mtpt -26.3 -43.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -56.84 -58.79 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB2' ' CD ' ' A' ' 45' ' ' PRO . . . -71.04 -32.88 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -62.99 -52.8 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 24.0 ttp180 -51.6 -34.1 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . -66.33 -47.33 73.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.79 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.9 OUTLIER -67.27 -17.24 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 83.1 m-20 -92.11 -43.42 9.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.9 mm? -53.29 -16.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.421 HG13 ' CD1' ' A' ' 68' ' ' PHE . 5.1 p -106.03 -39.7 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -28.94 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -119.34 -15.62 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.9 p-90 -139.27 144.59 38.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -144.24 134.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -104.57 153.11 21.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -127.98 96.39 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.53 171.41 7.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.527 ' CE2' HG12 ' A' ' 43' ' ' ILE . 81.8 m-85 -97.27 147.44 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -119.98 9.11 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.54 70.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.571 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 70.03 22.1 5.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -153.37 118.91 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG12 ' CE2' ' A' ' 38' ' ' TYR . 32.1 mt -66.51 136.05 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.446 HG11 ' C ' ' A' ' 43' ' ' ILE . 31.6 m -150.43 146.09 19.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 16' ' ' ALA . 53.8 Cg_exo -52.19 113.24 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.53 -99.59 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' OE1' ' A' ' 58' ' ' GLN . 10.6 m-20 -90.35 169.38 11.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -163.65 139.99 6.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 171.82 38.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.06 -21.68 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 9.1 t0 -82.69 105.69 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 5.5 t80 -54.32 -27.69 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -67.96 -23.43 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.11 -28.21 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.43 -42.3 44.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.58 -17.19 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -85.28 2.02 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.412 ' OE1' ' OD1' ' A' ' 47' ' ' ASP . 11.9 mm-40 -107.34 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.3 m -75.81 116.59 16.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 30.8 p -130.19 172.07 12.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.18 0.4 21.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -119.64 18.2 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 65' ' ' LEU . 7.1 p -153.06 152.47 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.505 ' NE ' ' OE1' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -144.17 136.52 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -173.45 164.78 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 108' ' ' VAL . 15.8 m-85 -81.44 158.05 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -146.91 101.46 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.553 ' CD2' HG23 ' A' ' 112' ' ' VAL . 6.9 t80 -90.18 118.26 29.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 t -121.77 143.64 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 3.7 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.57 125.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 118' ' ' GLU . 11.1 tp -76.0 90.58 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ALA . 18.4 mt -70.47 100.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.1 m -85.78 101.22 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.5 t-105 -84.72 143.52 29.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 90' ' ' GLY . 59.9 mt -150.2 99.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.26 138.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.94 11.16 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.45 -28.59 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -50.46 146.39 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 40.5 t -63.37 145.01 56.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -34.71 -58.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' ALA . 6.5 tp -33.97 -70.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.505 ' OE1' ' NE ' ' A' ' 64' ' ' ARG . 1.7 mm-40 -38.97 -39.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -77.07 -33.46 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.54 -17.4 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -96.91 -50.33 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.8 m -47.21 -32.35 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.11 -27.95 51.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.4 m -79.55 -33.83 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -77.83 -2.21 35.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -59.62 -37.17 77.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.514 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 22.6 m -55.52 -23.29 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 107' ' ' LEU . 5.0 mt -79.02 -49.87 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 66' ' ' PHE . 33.7 t -63.34 -31.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -66.54 -39.65 88.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.46 -42.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.7 t -80.49 -48.67 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.553 HG23 ' CD2' ' A' ' 68' ' ' PHE . 2.6 p -100.43 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -119.88 -29.66 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.2 t30 -63.69 -26.36 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.61 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.27 -66.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 1.8 ttmt -164.91 157.04 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.491 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 5.2 pt-20 -84.87 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.5 m-30 -108.85 106.9 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.2 t -82.73 100.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 23.6 mt -110.94 144.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.441 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -118.41 -18.88 9.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -114.55 124.68 52.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -51.75 -35.52 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -15.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -102.66 -15.88 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.576 HD21 ' CE3' ' A' ' 88' ' ' TRP . 3.6 mm? -68.71 -14.72 63.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.4 mt-10 -49.95 105.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 41.9 tt0 -37.11 -34.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -56.69 -47.3 80.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 128' ' ' GLU . 51.9 t80 -66.36 -36.77 83.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.0 mm -56.82 -52.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -58.6 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.4 m -41.01 -44.49 2.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.18 143.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.9 m-20 -82.45 44.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.5 mtmp? -22.53 -49.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.5 pt-20 -53.33 -58.91 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.89 -35.2 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.13 -62.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 31.8 ttp180 -43.56 -38.37 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -64.46 -45.8 85.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.456 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.3 t80 -60.64 -21.09 62.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.4 m-20 -88.58 -44.86 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 3.7 mm? -52.18 -18.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG2' HG11 ' A' ' 31' ' ' VAL . 20.7 t -104.99 -40.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 114' ' ' ASN . 3.9 ttt85 -65.83 -32.81 74.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.5 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG11 ' CG2' ' A' ' 24' ' ' VAL . 2.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -120.77 -16.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.544 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 43.3 p-90 -140.03 156.78 46.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 8.3 p -155.23 139.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 p -110.5 151.35 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 53.3 m-85 -129.18 97.9 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -97.81 172.19 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CE2' HG12 ' A' ' 43' ' ' ILE . 89.1 m-85 -91.85 147.07 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -119.89 17.6 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 73.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 68.82 24.21 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -158.05 123.75 4.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' CE2' ' A' ' 38' ' ' TYR . 24.7 mt -70.78 133.88 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 HG13 ' CG ' ' A' ' 13' ' ' ASP . 10.7 m -148.46 147.14 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.06 117.22 3.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.279 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.09 -104.57 1.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 18.9 m-20 -86.81 167.71 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 1.3 tt0 -168.21 150.47 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.93 174.83 38.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.41 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.25 -12.69 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.14 104.51 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 4.2 t80 -53.12 -29.51 31.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -69.33 -23.32 63.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -77.44 -27.85 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.11 -45.95 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.411 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 90.8 mt -63.62 -21.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.451 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 6.1 mm-40 -80.59 1.38 29.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.43 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 15.2 mm-40 -105.31 -45.87 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 88' ' ' TRP . 4.9 p -67.99 116.11 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.448 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 26.1 p -129.35 -179.75 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.89 3.26 20.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.08 18.61 12.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG1' ' H ' ' A' ' 60' ' ' THR . 7.3 p -156.46 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.88 123.73 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.13 165.03 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 108' ' ' VAL . 11.6 m-85 -84.8 155.1 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.25 103.54 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 78.2 t80 -89.51 111.84 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 t -117.53 145.55 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 2.3 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.496 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 20.4 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.02 126.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 12.9 tp -87.47 93.85 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -76.97 103.71 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 119' ' ' PHE . 16.6 m -84.8 100.82 11.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 59' ' ' CYS . 58.6 t-105 -81.92 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 90' ' ' GLY . 75.2 mt -153.98 99.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.24 136.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.439 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.54 6.14 15.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.56 -21.18 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 97' ' ' GLN . 2.6 t -50.69 159.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 24.7 t -74.46 134.66 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.86 -47.9 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.466 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.468 HD21 ' CG ' ' A' ' 100' ' ' LYS . 4.9 tt -55.03 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' HG12 ' A' ' 93' ' ' VAL . 11.6 mt-30 -51.96 -37.87 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -75.26 -29.25 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.41 -9.28 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' HD21 ' A' ' 96' ' ' LEU . 9.2 mmpt? -92.25 -39.88 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -55.99 -40.63 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.59 89.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.8 m -72.0 -38.73 69.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -73.7 -7.06 50.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -58.48 -35.42 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -57.56 -23.92 53.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 107' ' ' LEU . 3.3 mt -80.67 -51.55 8.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.581 HG23 ' CD1' ' A' ' 66' ' ' PHE . 43.8 t -60.74 -31.49 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -66.83 -38.26 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.78 -38.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.58 -43.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 68' ' ' PHE . 80.4 t -93.19 99.49 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -123.05 -32.03 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 25' ' ' ARG . 2.5 p-10 -67.79 -26.84 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.49 -170.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.615 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.6 tttp -161.15 163.65 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -88.19 123.56 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.8 m-30 -99.2 101.67 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 p -82.33 100.49 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.591 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 33.7 mt -109.54 143.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 p -119.8 -16.76 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.8 126.37 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -50.84 -36.64 38.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.59 -16.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.7 mt-10 -103.58 -19.09 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 121' ' ' ILE . 2.8 mm? -66.44 -13.77 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' PHE . 6.9 mt-10 -50.32 106.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 31.4 tt0 -38.77 -36.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -55.57 -44.45 76.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.51 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 41.0 t80 -68.15 -35.25 77.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.6 mm -59.2 -49.87 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.411 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -49.76 -60.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 t -39.34 -41.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 11' ' ' LYS . 4.1 mmpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 15.7 tt -129.66 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -91.9 44.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.6 mtpp -22.13 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.1 mt-10 -55.93 -61.31 2.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -63.98 -31.84 73.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 m -65.47 -55.56 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -40.08 -40.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.6 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.45 88.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -62.21 -21.26 64.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -91.45 -42.88 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.6 mm? -50.36 -16.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 p -112.14 -37.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -67.02 -31.07 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 pt -112.63 -11.33 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.516 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 40.4 p-90 -143.8 145.66 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -147.43 130.24 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -99.93 158.44 15.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -134.24 95.48 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -99.93 172.19 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CE2' HG12 ' A' ' 43' ' ' ILE . 69.9 m-85 -92.82 143.18 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -116.73 14.22 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.58 73.57 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.21 22.2 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -157.44 120.9 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG12 ' CE2' ' A' ' 38' ' ' TYR . 13.8 mt -69.74 139.84 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' CG ' ' A' ' 13' ' ' ASP . 11.8 m -154.69 149.74 20.52 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 120.1 6.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.42 -97.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.94 176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -159.18 155.83 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.62 164.85 14.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.62 -16.74 28.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.02 103.44 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 129' ' ' GLU . 6.1 t80 -54.77 -26.53 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 8.5 mm-40 -68.41 -21.97 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -78.97 -28.08 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -76.78 -42.55 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.75 -17.68 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -84.07 1.92 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -108.12 -30.25 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.529 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.4 m -76.7 115.73 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.446 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 16.5 p -130.29 172.37 11.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -75.64 2.54 11.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -120.18 19.77 12.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 65' ' ' LEU . 9.1 p -156.08 152.93 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -145.24 135.24 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.9 166.77 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 108' ' ' VAL . 12.7 m-85 -82.07 157.2 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . . . -143.83 102.46 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD2' HG21 ' A' ' 112' ' ' VAL . 9.1 t80 -91.56 114.89 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.1 t -120.72 144.7 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 21.9 ttt180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.7 134.52 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' CD2' HG13 ' A' ' 108' ' ' VAL . 12.2 tp -82.2 92.07 6.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.8 100.14 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 m -84.45 100.05 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.584 ' CH2' ' O ' ' A' ' 122' ' ' SER . 59.6 t-105 -84.2 138.1 33.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.499 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 48.7 mt -146.23 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.39 122.01 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -3.0 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -108.8 -22.75 12.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 90' ' ' GLY . 19.2 m -53.66 150.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 66.4 m -58.52 131.84 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.53 -54.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.482 HD23 ' CG ' ' A' ' 100' ' ' LYS . 2.9 tt -39.36 -65.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -38.83 -44.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -68.97 -37.12 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -70.14 -17.42 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.482 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -95.52 -41.8 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -51.83 -38.13 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.34 71.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -73.41 -36.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 m-20 -73.21 -3.49 27.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.419 ' HD3' ' CD ' ' A' ' 118' ' ' GLU . 6.3 ttpt -67.52 -32.98 74.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.5 m -52.08 -24.23 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -83.18 -52.9 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.573 HG23 ' CZ ' ' A' ' 66' ' ' PHE . 20.9 t -59.37 -29.21 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.8 -29.88 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 21.7 mm-40 -50.23 -48.23 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.11 -39.19 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.552 HG21 ' CD2' ' A' ' 68' ' ' PHE . 37.3 t -96.99 99.17 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.83 -36.32 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.7 m120 -61.81 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -51.92 -172.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.33 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 16.3 tttt -160.89 164.97 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pt-20 -88.1 130.32 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -102.78 100.4 10.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.76 102.35 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 32.8 mt -115.12 146.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.584 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.48 -21.85 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.77 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -53.74 -33.46 55.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -53.92 -18.71 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 15.8 mt-10 -101.82 -13.85 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.576 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.7 mm? -70.54 -15.65 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' PHE . 5.7 mt-10 -50.05 106.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -36.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 1.2 p30 -55.49 -46.09 76.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 56.6 t80 -66.57 -36.03 81.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.3 mm -55.27 -50.39 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -51.51 -58.94 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -40.47 -38.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 tt -145.33 138.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.541 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.1 m-20 -81.53 47.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 13' ' ' ASP . 65.8 mttt -25.56 -48.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ASP . 10.3 pt-20 -53.32 -54.53 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -72.36 -34.0 67.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -62.31 -60.59 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 47.7 ttp180 -44.96 -42.46 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.86 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.502 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -64.47 -40.1 95.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -22.2 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.473 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 50.1 m-20 -86.16 -46.92 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 2.5 mm? -48.0 -20.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.408 HG23 ' C ' ' A' ' 32' ' ' ILE . 3.5 p -104.72 -27.61 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -77.64 -25.6 49.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' A' ' 48' ' ' GLN . 92.8 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.728 0.299 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' C ' HG23 ' A' ' 24' ' ' VAL . 5.5 pt -119.97 -14.58 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 51.0 p-90 -142.72 163.8 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG23 ' CB ' ' A' ' 20' ' ' ALA . 11.7 p -161.88 140.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 ' CG2' HD23 ' A' ' 65' ' ' LEU . 4.2 p -109.43 155.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 83.1 m-85 -133.67 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -99.97 175.76 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CE2' HG12 ' A' ' 43' ' ' ILE . 53.2 m-85 -100.4 146.74 26.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -121.05 17.9 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.39 66.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 70.0 26.47 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -155.73 112.63 3.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.545 HG12 ' CE2' ' A' ' 38' ' ' TYR . 17.9 mt -63.19 139.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.6 m -155.35 142.72 13.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.13 107.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.767 2.312 . . . . 0.0 112.258 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.02 -96.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -92.37 169.66 10.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.492 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 27.2 tt0 -169.97 146.82 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.38 176.68 41.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.37 -27.16 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 106.96 12.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.38 -27.15 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -67.01 -23.61 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -76.79 -28.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -76.12 -45.3 34.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.02 -19.35 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.469 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.1 mm-40 -81.18 0.84 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -107.71 -30.36 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.8 m -76.89 116.0 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.6 p -134.43 172.81 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.18 5.12 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.01 17.11 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' ARG . 7.6 p -155.77 161.18 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -152.54 124.94 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.654 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.52 169.8 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.1 m-85 -88.23 154.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.9 109.82 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 29.2 t80 -94.27 109.97 21.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 70' ' ' ARG . 55.6 t -113.07 140.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' N ' HG11 ' A' ' 69' ' ' VAL . 43.2 ttt-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 14.9 m-85 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.97 125.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.39 85.63 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ALA . 19.9 mt -69.81 105.29 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 83.5 m -90.8 99.84 12.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CE3' HD22 ' A' ' 127' ' ' LEU . 58.1 t-105 -81.36 144.96 31.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' GLY . 72.4 mt -151.42 101.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' CA ' HG22 ' A' ' 93' ' ' VAL . . . -36.11 133.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.43 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.07 -10.6 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.79 -22.55 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 97' ' ' GLN . 7.3 t -50.76 149.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.4 t -65.94 132.8 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.58 -39.47 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.08 -65.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.467 ' CB ' HG13 ' A' ' 93' ' ' VAL . 10.6 mm-40 -50.15 -35.65 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 6.5 tmm_? -74.95 -27.1 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.34 49.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -92.38 -41.8 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.5 m -51.84 -39.78 59.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.04 77.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.6 m -75.15 -36.88 61.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.77 -1.09 20.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.19 -35.49 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.3 m -54.09 -24.23 16.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -81.46 -49.48 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 66' ' ' PHE . 94.1 t -60.17 -34.41 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -64.28 -37.07 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.43 -28.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.4 t -98.22 -34.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 68' ' ' PHE . 44.2 t -102.35 99.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.93 -27.49 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 15.93 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -96.78 -166.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -91.67 -69.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 12.6 tttp -168.13 161.35 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 2.8 pt-20 -81.55 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -107.28 100.36 9.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.6 t -79.19 100.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.585 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 16.2 mt -112.3 140.16 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.492 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -116.88 -19.13 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -114.06 125.09 53.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -51.1 -38.12 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -50.87 -16.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 8.8 mt-10 -102.04 -19.96 14.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.585 ' CD2' ' CG2' ' A' ' 121' ' ' ILE . 2.2 mm? -66.12 -15.46 63.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 106.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.778 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -38.85 -35.9 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -67.09 -37.38 83.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.6 mm -54.3 -47.83 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -58.2 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.2 t -40.99 -34.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' C ' HG21 ' A' ' 42' ' ' THR . 7.7 mmmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.719 0.295 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 tt -140.81 144.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -83.01 44.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.6 mtpt -25.46 -43.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.2 mt-10 -58.23 -59.85 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.8 -31.61 70.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.74 -55.11 19.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 38.0 ttp180 -48.89 -32.33 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.34 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.73 -42.84 85.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.577 ' CD1' HG23 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -68.54 -15.72 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 22.7 m-20 -88.61 -36.39 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 1.5 mm? -58.69 -27.14 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG2' HG13 ' A' ' 31' ' ' VAL . 55.7 t -95.39 -29.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 11.8 ptt85 -75.01 -25.15 58.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 2.6 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.825 0.345 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -123.13 -10.51 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.486 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.8 p-90 -145.6 143.17 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.523 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 30.7 m -142.3 122.48 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 p -93.89 153.0 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.523 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 82.1 m-85 -132.81 99.58 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.557 ' CE2' HG12 ' A' ' 43' ' ' ILE . 86.6 m-85 -94.01 146.39 23.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -116.14 15.14 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.17 -85.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.98 13.24 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 11' ' ' LYS . 29.9 m -155.38 147.75 23.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.557 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.2 mt -82.99 145.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.437 HG12 ' CG ' ' A' ' 13' ' ' ASP . 30.5 m -152.0 150.47 25.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.726 0.774 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.94 118.94 4.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.793 2.329 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.76 -90.69 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 172.79 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 5.1 tt0 -162.83 128.75 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 33' ' ' TRP . . . -175.32 163.74 33.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -21.27 23.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.705 0.288 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -81.04 108.99 15.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.85 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.4 t80 -55.96 -29.69 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -68.09 -20.25 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -80.78 -26.07 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -78.8 -41.17 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.56 -17.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -82.99 1.01 42.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -107.95 -28.32 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.3 m -80.45 117.81 21.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.436 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 16.0 p -134.94 171.23 14.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.0 1.95 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -120.03 19.82 12.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 65' ' ' LEU . 11.0 p -157.01 155.14 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -148.21 134.22 19.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.41 166.93 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 108' ' ' VAL . 4.7 m-85 -87.38 161.18 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.61 112.25 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 80.2 t80 -94.1 110.12 21.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.2 t -115.29 141.69 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 8.5 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.03 127.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 7.4 tp -84.92 90.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.0 mt -74.87 100.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.1 m -86.52 100.37 12.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 127' ' ' LEU . 57.5 t-105 -81.83 144.58 30.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 67.3 mt -150.97 99.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -32.77 129.68 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.81 -17.36 62.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -94.57 -18.78 21.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.459 ' CG1' ' CB ' ' A' ' 97' ' ' GLN . 17.7 t -51.08 145.15 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 95' ' ' GLY . 32.3 t -65.08 133.93 52.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.24 -39.01 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.0 tm? -56.93 -60.82 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.459 ' CB ' ' CG1' ' A' ' 93' ' ' VAL . 4.6 mm100 -57.19 -36.04 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.2 ttp85 -72.57 -33.39 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.53 -5.07 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -44.89 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.1 m -52.06 -34.97 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.46 -36.43 77.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 m -70.22 -39.69 74.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -74.92 -4.33 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 2.9 ttpm? -62.45 -34.82 77.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.5 m -55.59 -23.15 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.3 mt -79.24 -48.14 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.603 HG22 ' CE1' ' A' ' 66' ' ' PHE . 39.5 t -64.11 -34.41 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -63.17 -32.91 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -48.94 -40.84 31.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 80.9 t -85.39 -40.3 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.577 HG23 ' CD1' ' A' ' 21' ' ' TYR . 87.9 t -96.8 96.07 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.98 -36.89 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.661 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.87 -170.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.97 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.661 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.7 tttp -160.12 164.32 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.0 pm0 -88.05 121.93 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -98.71 101.45 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.3 t -80.21 100.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.47 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 10.6 mt -112.76 139.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.485 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 1.5 m -119.39 -15.28 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -118.49 127.79 53.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -52.57 -36.51 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.78 -16.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 mt-10 -103.65 -17.36 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 88' ' ' TRP . 3.5 mm? -67.75 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLU . 11.2 mt-10 -50.22 103.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 26.1 tt0 -36.09 -35.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.67 -48.84 69.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 23.9 t80 -66.92 -35.83 80.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.5 mm -59.43 -53.17 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -57.75 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.1 t -41.07 -41.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.77 0.319 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 14.7 tt -136.07 139.86 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.8 m-20 -80.73 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.0 mtpp -25.34 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -53.3 -55.4 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -73.52 -33.04 64.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 27.0 m -61.3 -59.91 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.474 ' HD3' ' ND2' ' A' ' 22' ' ' ASN . 0.9 OUTLIER -47.82 -37.34 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 18' ' ' ARG . . . -58.34 -49.33 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -18.0 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' ND2' ' HD3' ' A' ' 18' ' ' ARG . 75.7 m-20 -91.06 -39.72 12.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.1 mm? -55.97 -19.57 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG23 ' CG1' ' A' ' 31' ' ' VAL . 2.9 t -103.47 -39.44 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.639 HH12 ' ND2' ' A' ' 114' ' ' ASN . 2.0 ttt85 -69.93 -29.77 67.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG1' HG23 ' A' ' 24' ' ' VAL . 15.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -120.67 -17.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 55.8 p-90 -137.39 146.77 44.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 24' ' ' VAL . 7.0 m -146.64 118.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 p -91.32 152.3 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.41 97.73 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -97.78 172.81 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.83 146.88 23.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -119.31 14.14 12.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.97 73.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.85 25.89 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -160.34 126.2 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.0 mt -73.56 132.66 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 13' ' ' ASP . 14.7 m -147.79 144.69 19.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.556 0.694 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.05 122.17 10.08 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.723 2.282 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.59 -102.0 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 173.31 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -167.01 137.15 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 174.88 169.14 36.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.45 -16.93 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.45 105.85 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.42 -28.49 44.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.68 -20.51 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -82.06 -26.6 33.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -78.74 -41.65 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.64 -17.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.0 mm-40 -85.12 2.6 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -110.3 -26.92 9.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 62.3 m -81.56 113.25 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.412 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 4.1 p -128.12 179.42 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.98 2.01 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -119.49 19.29 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 65' ' ' LEU . 13.8 p -154.65 158.4 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -151.75 128.2 10.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -164.2 162.87 22.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG22 ' A' ' 108' ' ' VAL . 19.4 m-85 -79.43 160.56 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.82 103.29 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 70.4 t80 -90.34 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 70' ' ' ARG . 96.7 t -114.26 143.36 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 25.9 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 10.1 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.01 127.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 9.9 tp -85.78 87.35 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mt -72.32 104.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 119' ' ' PHE . 17.8 m -88.02 99.99 12.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 127' ' ' LEU . 57.6 t-105 -79.83 144.33 33.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 68.1 mt -151.4 100.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -32.59 134.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.59 -9.55 58.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.49 -21.5 14.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 t -50.54 148.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 33.1 t -70.07 131.74 44.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -32.35 -39.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 96' ' ' LEU . 1.6 tm? -52.59 -62.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -59.02 -35.38 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 89' ' ' ILE . 36.8 ttt180 -73.38 -26.52 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -89.77 -8.47 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 -43.58 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -50.42 -36.35 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.75 -33.57 76.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.3 m -73.77 -40.15 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.05 -3.3 9.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.446 ' CD ' ' CD ' ' A' ' 118' ' ' GLU . 5.2 ttpp -66.3 -32.41 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -54.32 -23.79 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -84.96 -53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG22 ' CD1' ' A' ' 66' ' ' PHE . 99.7 t -56.96 -34.14 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -65.2 -32.56 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.02 -41.08 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 90.3 t -84.87 -42.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 68' ' ' PHE . 98.5 t -93.34 98.41 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -124.72 -31.12 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.639 ' ND2' HH12 ' A' ' 25' ' ' ARG . 37.7 t30 -69.83 -25.75 63.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.83 -170.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.38 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 7.3 tttm -161.52 161.19 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 9.4 pt-20 -84.69 133.33 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.4 m-30 -107.66 100.02 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.14 100.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.504 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 23.5 mt -114.35 142.58 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.455 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.64 -16.78 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -117.25 126.45 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -51.44 -36.9 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -16.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.2 mt-10 -102.98 -18.64 14.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.569 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.5 mm? -66.92 -14.27 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.33 106.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 10.3 pm0 -39.88 -31.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 25.6 m-20 -58.13 -45.12 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.32 -37.21 80.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.37 -50.75 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -59.44 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 t -39.13 -38.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.3 tt -128.97 145.54 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.6 t0 -78.69 44.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.1 mttt -22.94 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -55.93 -57.69 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.97 -37.64 78.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 53.3 m -59.79 -59.58 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 17.6 ttp180 -44.75 -40.92 6.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.64 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 34' ' ' VAL . . . -64.23 -45.28 88.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.576 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.9 t80 -62.19 -20.79 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 72.8 m-20 -90.94 -43.15 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 3.5 mm? -53.71 -18.63 3.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG22 ' CG1' ' A' ' 31' ' ' VAL . 55.1 t -105.7 -39.76 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -32.62 72.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' HG22 ' A' ' 24' ' ' VAL . 2.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.76 0.314 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 pt -119.72 -12.48 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.488 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.6 p-90 -145.61 161.83 38.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 8.2 p -160.94 138.99 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.006 0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p -110.84 151.94 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 55.1 m-85 -130.42 96.88 4.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -99.25 171.86 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 43' ' ' ILE . 66.4 m-85 -93.48 149.16 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 4.6 t0 -119.44 14.3 12.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.84 74.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.81 23.35 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -159.7 125.26 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.3 mt -68.11 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' N ' HG23 ' A' ' 43' ' ' ILE . 34.2 m -155.75 141.39 12.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.05 113.47 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.32 -108.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -84.13 171.39 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 1.4 tt0 -172.26 139.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.14 -177.24 47.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 4.23 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.9 t70 -107.97 100.29 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -51.33 -29.45 15.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -67.96 -31.99 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -68.89 -36.05 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -66.02 -40.2 90.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.58 -18.4 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -80.47 -1.67 42.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -106.6 -33.31 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -76.22 113.7 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.4 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.1 p -131.9 178.18 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -78.61 5.76 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -121.59 19.92 11.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 65' ' ' LEU . 13.2 p -157.99 155.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -147.83 133.31 18.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.94 172.98 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 108' ' ' VAL . 8.4 m-85 -88.24 158.78 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB1' ' CE1' ' A' ' 55' ' ' PHE . . . -145.44 107.57 4.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 58.1 t80 -94.67 108.18 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 70' ' ' ARG . 46.6 t -113.03 144.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' N ' HG13 ' A' ' 69' ' ' VAL . 38.3 ttt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 18.6 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.56 131.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tp -88.93 86.53 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.47 105.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' PHE . 54.2 m -86.71 100.06 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.59 ' CZ3' HD23 ' A' ' 127' ' ' LEU . 57.9 t-105 -81.83 141.2 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.467 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 65.3 mt -147.19 99.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -32.83 131.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -75.08 5.06 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.08 -23.9 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.2 144.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLY . 9.1 t -68.26 144.37 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.06 -59.75 0.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.451 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.5 tt -33.74 -62.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -47.25 -46.96 24.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -67.57 -31.8 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.93 -16.51 56.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -33.85 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -63.61 -34.81 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.08 -38.47 34.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -69.86 -29.02 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -87.38 5.77 37.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 8.3 m -59.04 -22.51 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.2 mp -78.57 -49.58 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.577 HG21 ' CE1' ' A' ' 66' ' ' PHE . 25.0 t -60.55 -33.52 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -64.79 -36.24 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 106' ' ' THR . 40.3 mm-40 -46.71 -41.91 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 73.6 t -87.02 -37.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 21' ' ' TYR . 71.3 t -99.14 98.03 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -124.0 -32.45 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 10.5 t-20 -66.73 -27.05 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.89 -171.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.17 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.586 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.3 tttt -161.82 163.89 29.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pt-20 -85.14 129.16 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -104.65 99.97 9.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 120' ' ' VAL . 12.3 p -79.07 101.18 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 6.0 mt -118.57 141.42 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.495 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -119.7 -16.01 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.51 124.06 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -51.33 -35.79 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.407 ' NZ ' ' OE2' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -51.82 -16.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.0 mt-10 -102.69 -19.28 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.59 HD23 ' CZ3' ' A' ' 88' ' ' TRP . 4.3 mm? -64.88 -15.42 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.407 ' OE2' ' NZ ' ' A' ' 125' ' ' LYS . 8.9 mt-10 -50.09 104.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 133' ' ' ARG . 31.9 tt0 -39.4 -34.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.47 -45.45 73.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.52 -37.2 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.73 -47.04 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.443 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -52.0 -60.69 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.803 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -38.5 -38.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 11.7 tt -132.53 156.81 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.0 t0 -91.61 44.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.5 mtmt -22.37 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.8 mt-10 -55.55 -59.36 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.33 -37.78 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 47.9 m -59.11 -51.32 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttp180 -50.07 -36.41 29.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.65 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.18 86.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.87 -22.76 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 81.6 m-20 -88.26 -48.91 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD11 ' NE2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -46.14 -21.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 68' ' ' PHE . 2.6 p -102.95 -39.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 pt -119.98 -18.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.413 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 45.2 p-90 -136.7 148.74 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.404 HG21 ' CE1' ' A' ' 36' ' ' PHE . 27.1 m -149.67 126.86 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p -97.47 155.54 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE1' HG21 ' A' ' 34' ' ' VAL . 16.7 m-85 -135.12 97.78 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -98.34 -179.83 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.576 ' CE2' HG12 ' A' ' 43' ' ' ILE . 70.1 m-85 -103.77 149.48 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -122.93 14.66 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.32 70.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 70.0 24.16 5.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -154.58 122.6 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG12 ' CE2' ' A' ' 38' ' ' TYR . 25.3 mt -74.17 134.87 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 43' ' ' ILE . 27.3 m -148.1 143.29 17.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 111.065 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 116.33 2.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.49 -110.98 0.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.48 174.08 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 23' ' ' LEU . 11.4 tt0 -170.35 141.92 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.64 176.12 39.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 -17.73 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 106.11 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 3.4 t80 -54.91 -26.66 37.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -80.3 -27.26 38.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -77.02 -43.67 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.02 -17.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -84.92 2.23 43.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.69 -30.64 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.2 m -78.5 114.58 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.436 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 24.8 p -130.21 172.23 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' CB ' ' OE2' ' A' ' 91' ' ' GLU . 2.8 p30 -75.35 2.85 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.11 18.64 12.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 65' ' ' LEU . 8.6 p -156.01 151.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -143.34 133.74 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.76 170.02 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CD1' HG23 ' A' ' 108' ' ' VAL . 10.7 m-85 -84.22 156.38 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 55' ' ' PHE . . . -143.38 100.1 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.483 ' CD1' HG13 ' A' ' 24' ' ' VAL . 7.5 t80 -87.26 117.46 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 70' ' ' ARG . 65.2 t -123.92 142.68 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' N ' HG13 ' A' ' 69' ' ' VAL . 6.3 ttp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.66 131.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.73 93.12 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.99 100.11 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' PHE . 30.5 m -81.16 100.11 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CZ3' HD23 ' A' ' 127' ' ' LEU . 59.9 t-105 -84.18 141.0 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.485 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 69.1 mt -148.15 99.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -35.26 127.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.462 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 7.4 pm0 -68.99 -2.28 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -107.85 -25.71 11.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -50.53 147.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 4.1 m -62.56 130.79 46.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.22 -48.44 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -38.04 -65.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -45.45 -42.88 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -30.2 70.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.49 -19.31 56.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' THR . 22.0 mmmt -98.05 -58.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' LYS . 44.0 m -36.15 -40.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.3 -37.61 63.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.9 m -71.61 -36.79 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.41 -4.79 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -60.97 -37.2 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 m -53.7 -25.0 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.1 mt -77.71 -49.92 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.57 HG23 ' CD1' ' A' ' 66' ' ' PHE . 63.7 t -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -67.52 -40.6 85.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' LYS . 2.2 mm-40 -38.27 -40.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.29 -28.88 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 109' ' ' LYS . 74.5 t -102.08 99.63 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -123.13 -36.8 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 115' ' ' PHE . 2.4 m120 -63.29 -29.14 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.44 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.79 -66.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 22.9 tttt -161.35 163.22 30.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.4 pt-20 -83.37 135.1 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -109.35 100.01 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.77 100.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 16.4 mt -114.25 142.31 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.432 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -118.51 -17.22 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.95 125.53 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -51.68 -36.68 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -51.88 -16.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 13.9 mt-10 -103.38 -18.09 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.573 HD23 ' CZ3' ' A' ' 88' ' ' TRP . 3.3 mm? -67.11 -13.75 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.08 105.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 31.4 tt0 -39.63 -33.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -57.41 -44.65 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -67.17 -37.1 83.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.32 -50.26 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.475 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.3 OUTLIER -50.16 -58.7 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -39.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.1 tt -142.72 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.566 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.1 m-20 -85.17 43.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 13' ' ' ASP . 31.8 mtpt -23.19 -46.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.5 mt-10 -56.86 -60.26 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.85 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -63.7 -53.67 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.493 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 12.0 tpp180 -46.25 -39.09 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . -62.39 -50.39 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.07 98.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.435 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -67.0 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.493 ' ND2' ' HG3' ' A' ' 18' ' ' ARG . 69.9 m-20 -92.47 -45.04 8.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.786 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 19' ' ' ALA . 4.3 mm? -50.9 -16.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' A' ' 68' ' ' PHE . 3.4 p -109.68 -38.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -67.01 -32.61 73.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 77.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.779 0.324 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.92 -18.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 45.0 p-90 -135.97 145.58 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 18.5 m -145.13 124.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -96.02 154.12 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.09 95.95 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -95.93 174.47 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 43' ' ' ILE . 80.9 m-85 -99.22 145.56 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -119.96 14.15 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 71.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 68.89 23.99 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -153.85 114.15 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.558 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.4 mt -68.78 126.41 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.428 HG11 ' CG ' ' A' ' 13' ' ' ASP . 33.1 m -139.97 149.18 57.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.07 114.32 1.58 Allowed 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.761 2.307 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.21 -102.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.93 166.7 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -160.65 140.23 10.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.12 41.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.21 -25.7 15.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -79.85 105.41 11.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 129' ' ' GLU . 5.5 t80 -54.77 -27.55 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -66.84 -20.3 65.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -81.72 -26.39 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.455 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.57 -41.04 40.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.83 -17.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -84.12 3.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -110.93 -23.76 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 59.4 m -84.3 117.32 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.401 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 10.8 p -128.42 179.59 5.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.06 4.2 31.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.06 18.64 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.401 ' CG1' ' H ' ' A' ' 60' ' ' THR . 11.2 p -151.78 160.61 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.478 ' C ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -151.15 139.85 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -175.56 156.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CD1' HG21 ' A' ' 108' ' ' VAL . 33.2 m-85 -75.55 161.07 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.13 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CE1' ' CD2' ' A' ' 83' ' ' PHE . 18.1 t80 -95.02 106.55 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 70' ' ' ARG . 53.4 t -112.96 143.85 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.434 ' N ' HG12 ' A' ' 69' ' ' VAL . 22.6 ttt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.547 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 20.1 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.68 131.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.68 90.08 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.2 mt -75.42 102.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.5 m -85.24 99.98 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CE3' HD22 ' A' ' 127' ' ' LEU . 58.5 t-105 -77.83 144.28 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.473 HG22 ' NH2' ' A' ' 64' ' ' ARG . 67.8 mt -150.18 100.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.53 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.74 -24.55 17.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.92 -9.74 57.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.406 ' CB ' HH21 ' A' ' 64' ' ' ARG . 4.1 t -62.32 163.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 22.8 t -84.68 135.38 34.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.53 -38.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.49 ' CD2' ' C ' ' A' ' 96' ' ' LEU . 1.4 tt -55.0 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' C ' HH12 ' A' ' 64' ' ' ARG . 25.5 mm-40 -48.7 -46.19 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 24.0 ttt180 -60.48 -27.5 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.45 -2.38 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -100.04 -48.54 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -48.97 -33.17 10.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.15 69.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.6 m -77.77 -40.74 39.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -70.06 -9.55 55.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -61.24 -27.78 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.1 m -64.4 -19.21 65.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.1 mt -88.12 -50.47 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.3 t -61.97 -34.1 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -66.14 -29.92 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -46.83 -45.46 20.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.72 -41.47 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 115' ' ' PHE . 97.7 t -93.52 97.37 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -124.12 -31.87 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 66.8 t30 -71.53 -23.71 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.81 -170.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.53 -68.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 35.2 tttt -162.78 162.1 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 pt-20 -83.21 133.95 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.507 ' CE2' HG23 ' A' ' 132' ' ' ILE . 3.4 m-30 -108.79 100.0 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.7 100.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.544 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 15.4 mt -116.25 142.26 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.516 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 47.5 t -119.03 -16.21 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -115.72 126.61 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.5 mtm105 -52.19 -37.2 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -53.24 -15.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.5 mt-10 -103.07 -16.33 15.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.577 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.1 mm? -69.66 -12.27 61.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' PHE . 12.0 mt-10 -50.09 103.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 4.1 tm-20 -36.64 -40.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.38 -45.64 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' GLU . 36.5 t80 -63.28 -36.16 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.507 HG23 ' CE2' ' A' ' 119' ' ' PHE . 22.4 mm -61.56 -43.71 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -52.4 -59.58 4.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 t -40.81 -43.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' C ' HD21 ' A' ' 107' ' ' LEU . 5.1 mmmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.0 tt -131.6 147.89 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.8 m-20 -80.94 46.72 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 13' ' ' ASP . 8.8 mttp -22.77 -45.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.3 mt-10 -59.69 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.45 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 34.6 m -67.57 -58.08 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.477 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttm180 -38.62 -41.21 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.787 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.75 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.7 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.3 -22.03 66.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.477 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.7 m-20 -90.31 -48.13 7.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.0 mm? -45.47 -20.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' A' ' 68' ' ' PHE . 3.1 p -106.3 -38.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -29.11 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 85.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.82 0.343 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -119.72 -18.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 49.6 p-90 -135.7 143.88 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 28.6 m -143.39 120.11 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 p -91.35 155.72 18.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CZ ' HG22 ' A' ' 34' ' ' VAL . 71.8 m-85 -133.84 99.86 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.12 178.65 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -95.39 146.44 24.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 14.6 t70 -118.52 16.02 13.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.25 -86.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.77 19.68 12.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -158.96 149.55 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -81.06 137.63 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 39' ' ' ASP . 10.3 m -147.18 150.71 38.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.1 134.72 50.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.46 -80.13 1.5 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.14 176.12 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 4.9 mt-30 -155.61 161.15 40.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.18 167.09 20.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.04 -20.04 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 12.9 m-20 -81.36 102.79 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 6.6 t80 -54.19 -28.94 43.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.8 mm-40 -66.39 -34.36 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 8.2 m170 -65.55 -32.53 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CE1' ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -66.05 -41.21 91.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.17 -20.94 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.561 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 1.3 mp0 -77.94 0.95 22.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -108.02 -31.21 8.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.3 m -77.76 117.26 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.422 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 34.4 p -132.53 169.97 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.92 18.68 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.498 HG23 ' CD1' ' A' ' 65' ' ' LEU . 7.6 p -157.63 150.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -143.71 131.94 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.58 11.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 108' ' ' VAL . 14.2 m-85 -85.57 156.35 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.522 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.36 100.48 3.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.4 t80 -88.8 116.67 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG13 ' CD2' ' A' ' 52' ' ' TYR . 86.5 t -120.26 148.36 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.589 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 53.3 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.71 131.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' A' ' 108' ' ' VAL . 10.5 tp -84.72 91.79 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 67' ' ' ALA . 38.5 mt -76.11 103.52 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 119' ' ' PHE . 2.9 m -86.87 103.04 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CE3' HD23 ' A' ' 127' ' ' LEU . 53.9 t-105 -83.15 143.85 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 72.4 mt -149.76 100.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.84 129.91 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -72.66 2.68 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.09 -24.05 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.17 146.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 95' ' ' GLY . 19.9 m -66.03 141.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.48 -50.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 tt -42.6 -66.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.46 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 8.8 mt-30 -40.22 -46.65 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.23 89.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.52 -14.25 62.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 -41.79 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -60.01 -37.1 78.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.84 47.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -70.48 -32.57 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.407 ' C ' HD12 ' A' ' 107' ' ' LEU . 44.1 m-20 -84.47 9.81 12.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 m -58.19 -22.31 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.4 mp -78.13 -50.32 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 66' ' ' PHE . 39.4 t -59.67 -33.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.481 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -65.38 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -48.46 -54.47 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 112' ' ' VAL . 11.0 p -75.32 -29.76 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 111' ' ' VAL . 29.1 t -103.39 99.95 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -121.96 -38.3 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.21 -26.71 66.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -54.32 -172.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.07 -65.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.557 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 51.4 tttt -160.09 162.1 34.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -88.55 124.41 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.0 m-30 -100.29 100.32 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.14 101.01 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 17.6 mt -109.92 147.4 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -21.14 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -114.5 127.12 55.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -52.63 -36.7 57.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.89 -15.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.06 -19.36 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.576 HD23 ' CE3' ' A' ' 88' ' ' TRP . 2.9 mm? -65.42 -14.08 60.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' GLU . 9.4 mt-10 -50.02 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 12.7 tt0 -36.13 -36.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.81 -48.66 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 29.7 t80 -65.87 -36.16 82.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.55 -50.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.457 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.5 OUTLIER -52.94 -57.75 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -41.35 -40.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 15.3 tt -150.04 149.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -92.68 46.79 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 13' ' ' ASP . 25.5 mtmt -21.1 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 pt-20 -52.25 -59.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.47 -34.83 78.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.9 m -60.81 -62.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -41.68 -40.78 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.84 -51.24 70.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.9 91.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.522 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.4 t80 -64.44 -16.29 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -94.35 -41.64 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.5 mm? -53.15 -14.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.44 HG11 ' CE1' ' A' ' 68' ' ' PHE . 4.2 p -110.64 -38.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -29.56 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.76 0.314 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 9.9 pt -117.45 -11.48 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.4 p-90 -144.48 141.66 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 48' ' ' GLN . 29.7 m -142.29 130.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.228 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.4 p -99.63 154.3 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -128.67 94.02 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -99.02 177.33 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -97.3 141.7 30.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 8.8 t0 -119.67 14.64 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 65.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.79 11.95 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -140.97 130.14 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 44' ' ' VAL . 42.4 mt -67.96 140.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.479 ' N ' HG23 ' A' ' 43' ' ' ILE . 13.7 m -155.81 145.54 15.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.68 0.752 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.98 108.62 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -67.59 -100.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 174.92 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 6.4 mt-30 -154.61 163.91 39.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.98 161.1 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . . . -87.51 -19.87 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 16.3 t0 -80.46 100.25 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CD2' HG11 ' A' ' 69' ' ' VAL . 8.6 t80 -53.51 -27.74 27.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.7 mm-40 -67.26 -34.26 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.413 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 7.4 m170 -65.96 -33.73 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -65.41 -41.33 93.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.76 -20.21 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 2.1 mp0 -80.3 5.83 13.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -115.95 -30.61 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 37.3 m -79.09 104.88 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.417 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 31.0 p -119.39 177.62 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -78.92 4.48 14.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -120.28 20.56 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.484 HG22 ' CD1' ' A' ' 65' ' ' LEU . 14.9 p -156.85 154.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -145.74 133.93 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -172.67 165.57 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CD1' HG23 ' A' ' 108' ' ' VAL . 29.2 m-85 -79.55 157.44 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.88 100.09 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 112' ' ' VAL . 13.4 t80 -90.75 118.0 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 52' ' ' TYR . 21.9 t -124.05 141.62 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 38.9 ttt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.497 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 4.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.3 125.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 66' ' ' PHE . 13.2 tp -78.54 93.06 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.1 mt -73.05 100.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' PHE . 64.0 m -81.84 101.69 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CE3' HD23 ' A' ' 127' ' ' LEU . 62.7 t-105 -86.16 138.58 31.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 59.9 mt -147.08 97.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.191 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.486 ' O ' ' CG2' ' A' ' 93' ' ' VAL . . . -32.01 120.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.14 -4.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.345 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.26 -15.36 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 90' ' ' GLY . 26.2 m -54.42 153.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 6.7 t -70.13 135.49 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.01 -54.75 0.7 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -37.62 -60.74 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 5.1 mt-30 -44.55 -49.2 10.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -66.36 -33.16 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.86 63.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -34.5 10.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.445 ' O ' ' OD1' ' A' ' 104' ' ' ASP . 45.0 m -74.56 -24.9 59.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.19 -16.52 78.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 m -104.91 -31.57 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 101' ' ' THR . 1.2 p-10 -67.43 -16.06 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 15.4 ttmt -54.14 -31.63 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 21.6 m -64.45 -17.14 63.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.6 -44.97 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.574 HG23 ' CD1' ' A' ' 66' ' ' PHE . 65.2 t -66.94 -37.9 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 109' ' ' LYS . 2.4 ttpm? -62.76 -34.09 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.466 ' CD ' ' O ' ' A' ' 106' ' ' THR . 3.2 mm-40 -43.47 -47.28 7.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.33 -49.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.522 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 1.1 p -97.24 101.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -28.24 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.88 -25.54 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.8 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.15 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 2.6 ttmt -162.38 165.1 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.2 pm0 -92.44 128.11 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 m-30 -101.56 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.07 100.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 28.6 mt -111.38 144.93 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.48 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.95 -19.2 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.01 126.06 53.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -50.85 -36.74 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -49.96 -18.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.9 mt-10 -102.5 -19.52 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.579 HD23 ' CE3' ' A' ' 88' ' ' TRP . 3.2 mm? -66.21 -15.8 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' ASP . 6.1 mt-10 -49.95 104.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 16.7 tt0 -36.03 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 44.1 m-20 -56.71 -48.85 76.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 126' ' ' GLU . 52.4 t80 -66.45 -36.06 81.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.01 -49.49 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.56 -53.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.7 t -45.08 -40.4 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.457 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' CB ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 11.7 tt -135.22 146.24 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -81.77 45.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.6 mtpp -23.86 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.1 mt-10 -57.59 -59.59 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.3 -54.2 36.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 36.1 ttp180 -45.69 -36.66 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.12 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -60.73 -19.72 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 68.3 m-20 -91.77 -44.54 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -49.07 -18.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.95 -34.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.07 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 50' ' ' ALA . 7.9 pt -119.96 -12.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 45.7 p-90 -142.76 140.93 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -142.64 128.99 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -98.79 154.7 17.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 72.3 m-85 -132.95 97.35 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -98.15 172.89 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE2' HG12 ' A' ' 43' ' ' ILE . 75.5 m-85 -94.07 141.77 28.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 35.4 t0 -109.82 13.37 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.94 11.99 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 11' ' ' LYS . 6.0 m -152.22 142.51 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 38' ' ' TYR . 18.8 mt -70.82 146.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 39' ' ' ASP . 16.8 m -154.4 143.33 14.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.04 123.05 11.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.15 -96.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD2' ' CD ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -92.92 179.79 5.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 9.5 tt0 -169.51 136.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.88 172.36 40.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 32' ' ' ILE . . . -95.78 -25.04 16.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.87 105.68 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 129' ' ' GLU . 7.2 t80 -53.97 -28.85 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.22 -20.62 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -82.24 -26.45 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.7 OUTLIER -77.93 -43.94 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.23 -17.82 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -84.93 2.6 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CD ' ' OD2' ' A' ' 47' ' ' ASP . 10.9 mm-40 -108.5 -33.48 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.5 m -76.53 115.57 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.4 p -132.96 174.45 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' HA ' ' CA ' ' A' ' 90' ' ' GLY . 0.7 OUTLIER -75.43 5.11 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -121.07 19.46 11.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 65' ' ' LEU . 11.6 p -157.82 151.74 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -144.93 124.1 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.658 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.66 171.53 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 108' ' ' VAL . 6.3 m-85 -89.38 163.49 15.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.45 111.61 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 83' ' ' PHE . 18.5 t80 -92.44 104.41 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG11 ' N ' ' A' ' 70' ' ' ARG . 44.2 t -108.74 142.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 17.7 ttt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 70' ' ' ARG . 28.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.88 134.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD23 ' CG1' ' A' ' 108' ' ' VAL . 9.7 tp -85.91 94.51 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 121' ' ' ILE . 19.9 mt -78.13 102.74 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -86.87 99.94 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 127' ' ' LEU . 60.4 t-105 -82.88 144.07 30.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 86.0 mt -151.19 99.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.83 133.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.32 8.45 4.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -114.45 -27.56 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.8 m -51.2 145.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.3 t -67.25 145.99 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.13 -50.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD23 ' CG ' ' A' ' 100' ' ' LYS . 5.1 tt -43.29 -66.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -40.82 -46.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.85 -33.69 72.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.03 -16.53 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -95.44 -36.1 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 m -59.37 -38.67 81.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.02 -35.53 64.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.0 m -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.403 ' C ' HD11 ' A' ' 107' ' ' LEU . 42.8 m-20 -85.78 7.98 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -77.2 -32.93 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.6 m -58.37 -22.66 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.6 mp -77.37 -49.84 14.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 66' ' ' PHE . 39.1 t -60.19 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.463 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -63.6 -35.88 81.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.15 -46.1 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.5 t -82.73 -34.0 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.6 t -97.9 99.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -124.86 -36.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -65.87 -22.71 66.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -56.75 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.54 -65.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.56 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 24.7 tttp -160.88 162.63 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.7 pm0 -87.56 124.09 33.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 132' ' ' ILE . 6.3 m-30 -99.23 106.59 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.3 101.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.54 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 11.7 mt -112.5 144.24 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -19.92 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -114.46 128.83 56.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -53.29 -38.38 63.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.52 -16.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 14.3 mt-10 -101.78 -19.42 15.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 88' ' ' TRP . 2.6 mm? -66.54 -13.47 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 129' ' ' GLU . 8.6 mt-10 -50.97 101.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 37.4 tt0 -34.06 -41.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -50.94 -49.0 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 37.3 t80 -62.54 -35.52 79.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 119' ' ' PHE . 26.2 mm -61.2 -44.54 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mmm-85 -52.15 -58.39 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.5 t -41.12 -41.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tt -143.87 143.24 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.568 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.0 m-20 -82.33 46.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.0 mtpt -22.82 -50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.1 pt-20 -52.22 -59.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.8 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.2 m -61.32 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -43.28 -38.9 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.29 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.14 -21.32 63.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -86.72 -47.59 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.49 -18.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' CG2' HG12 ' A' ' 31' ' ' VAL . 6.7 t -107.34 -38.07 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -65.92 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.5 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.875 0.369 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.45 -18.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -137.66 143.26 41.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 48' ' ' GLN . 14.4 m -144.04 129.38 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -100.95 152.57 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -131.27 97.44 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -97.67 178.25 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.502 ' CE1' HG12 ' A' ' 43' ' ' ILE . 92.3 m-85 -99.35 145.57 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -119.8 14.24 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.8 71.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.21 27.22 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.5 m -159.54 121.17 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG12 ' CE1' ' A' ' 38' ' ' TYR . 39.5 mt -70.54 132.27 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 13' ' ' ASP . 15.8 m -147.02 143.88 18.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.176 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 119.66 6.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.52 -100.14 0.87 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.19 170.5 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' HG11 ' A' ' 31' ' ' VAL . 15.4 tt0 -163.62 136.47 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.68 169.31 37.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.03 22.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.7 t0 -85.37 106.07 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.92 -29.33 56.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -68.19 -20.69 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -81.89 -25.88 34.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -77.41 -42.61 35.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -67.39 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -86.31 3.06 44.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -109.13 -30.15 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 88' ' ' TRP . 42.1 m -82.53 114.71 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.44 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.5 p -124.15 176.88 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 91' ' ' GLU . 2.8 t0 -80.78 12.41 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.49 19.91 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.44 ' CG1' ' H ' ' A' ' 60' ' ' THR . 14.3 p -152.48 159.14 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -149.99 130.53 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.26 165.11 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' HG22 ' A' ' 108' ' ' VAL . 13.3 m-85 -83.12 156.35 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.51 104.77 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 60.4 t80 -90.37 110.49 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 33' ' ' TRP . 43.2 t -115.19 147.28 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.587 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 52.0 ttt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 40.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.22 130.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 9.6 tp -87.52 91.75 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mt -75.49 104.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -87.36 100.03 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CE3' HD21 ' A' ' 127' ' ' LEU . 63.4 t-105 -83.29 142.8 30.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.475 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 58.8 mt -151.35 99.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -37.03 129.9 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 13.7 mt-10 -72.49 5.71 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -115.75 -23.1 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.8 m -50.32 149.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 p -56.87 136.05 55.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -38.64 -56.17 2.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.8 -56.28 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -44.5 -48.65 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -65.2 -35.37 80.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.76 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -98.34 -51.89 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -40.78 -41.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.192 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.74 86.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 m -69.79 -36.41 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.114 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.59 -4.88 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.74 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.2 m -52.31 -25.13 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.28 -52.03 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 66' ' ' PHE . 86.9 t -59.05 -32.53 48.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -66.05 -35.58 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.89 -38.81 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.12 -42.65 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 68' ' ' PHE . 84.0 t -94.74 98.51 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -123.74 -30.84 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' PHE . 22.9 t30 -69.57 -26.11 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.86 -171.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.71 -67.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.569 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 17.8 tttt -161.26 161.05 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -84.81 127.44 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.465 ' CE2' HG22 ' A' ' 132' ' ' ILE . 5.5 m-30 -101.12 102.61 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.454 ' CG2' ' OE1' ' A' ' 118' ' ' GLU . 96.2 t -80.36 101.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 8.4 mt -114.78 140.97 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -17.09 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -116.68 127.52 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 124' ' ' ARG . 36.1 mtm105 -52.16 -37.23 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -17.19 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -101.55 -18.66 15.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.567 HD21 ' CE3' ' A' ' 88' ' ' TRP . 2.6 mm? -65.86 -16.31 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -50.06 104.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 3.1 pt-20 -38.64 -36.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 6.6 m-20 -53.46 -46.05 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -67.47 -37.85 83.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.465 HG22 ' CE2' ' A' ' 119' ' ' PHE . 30.5 mm -55.96 -48.4 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -60.38 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.9 t -38.96 -40.12 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.8 tt -126.95 150.68 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.2 m-20 -87.51 45.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttm -22.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.6 pt-20 -52.46 -57.6 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.34 -33.31 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 28.0 m -62.61 -62.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 29.4 ttm180 -40.9 -42.67 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.45 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -62.47 -46.92 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.534 ' CD1' HG23 ' A' ' 112' ' ' VAL . 1.6 t80 -60.59 -20.98 62.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -85.64 -43.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -52.93 -15.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.51 HG13 ' CE1' ' A' ' 68' ' ' PHE . 4.4 p -110.75 -24.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ptt180 -82.17 -28.56 32.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.35 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -119.19 -19.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 40.5 p-90 -137.89 154.25 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.507 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 9.3 p -152.53 137.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLY . 7.3 p -107.75 148.46 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 66.0 m-85 -127.99 96.88 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -98.51 174.49 6.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.526 ' CE1' HG12 ' A' ' 43' ' ' ILE . 76.2 m-85 -94.47 146.85 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -119.76 16.85 12.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.65 72.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.98 24.74 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 m -158.12 124.06 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG12 ' CE1' ' A' ' 38' ' ' TYR . 21.8 mt -71.78 137.71 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' CG ' ' A' ' 13' ' ' ASP . 23.0 m -152.62 143.86 16.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 111.19 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.06 109.63 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -75.2 -99.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 2.4 m-20 -91.22 174.2 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.699 0.285 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -168.61 136.68 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.29 171.86 44.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.72 -14.57 21.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 3.0 m-20 -87.55 108.94 19.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 4.3 t80 -56.53 -27.99 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -72.12 -21.62 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -79.59 -27.14 41.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.16 -45.08 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 87.2 mt -64.07 -20.58 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -81.05 0.7 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 20.3 mm-40 -103.87 -46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 88' ' ' TRP . 3.4 p -66.4 112.93 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.45 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 61.7 p -123.12 176.25 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.62 2.51 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.11 18.56 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 ' CG1' ' H ' ' A' ' 60' ' ' THR . 10.2 p -154.09 159.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.545 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -150.79 131.21 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.04 170.06 12.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -83.76 151.57 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.96 101.18 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' A' ' 24' ' ' VAL . 4.6 t80 -91.99 118.86 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 t -125.07 148.63 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 17.2 ttt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 5.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.98 127.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD2' HG13 ' A' ' 108' ' ' VAL . 15.6 tp -81.63 91.0 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.24 100.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' PHE . 3.4 m -82.24 101.58 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.585 ' CE3' HD23 ' A' ' 127' ' ' LEU . 54.3 t-105 -82.41 140.8 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 90' ' ' GLY . 71.4 mt -146.63 99.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.46 134.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.82 3.64 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.94 -11.31 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 97' ' ' GLN . 43.6 t -58.94 144.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 95' ' ' GLY . 17.5 m -66.04 132.73 49.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.63 -36.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' SER . 1.2 tm? -52.12 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 24.8 mm-40 -59.51 -34.31 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 7.2 tmm_? -73.54 -26.11 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -88.62 -13.45 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -39.49 9.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -47.42 -36.97 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.69 -31.92 55.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.7 m -73.4 -29.86 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.53 3.73 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' ' OE1' ' A' ' 118' ' ' GLU . 6.6 ttpp -71.45 -32.54 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 15.3 m -60.33 -21.02 61.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -82.95 -49.42 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' A' ' 66' ' ' PHE . 19.8 t -63.06 -32.96 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -36.66 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' THR . 1.8 mm-40 -45.64 -36.69 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 79.3 t -88.77 -41.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.534 HG23 ' CD1' ' A' ' 21' ' ' TYR . 46.0 t -96.68 99.96 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -122.13 -30.88 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' PHE . 0.5 OUTLIER -67.75 -28.06 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.21 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.17 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 8.1 tttp -161.79 162.59 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 6.5 pt-20 -86.79 134.05 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.1 m-85 -106.4 100.29 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.84 100.07 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.531 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 38.9 mt -111.6 143.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -17.26 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.72 126.75 53.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -51.76 -37.25 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -53.42 -15.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' OE2' ' CE2' ' A' ' 131' ' ' PHE . 3.2 mm-40 -101.8 -18.65 15.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.585 HD23 ' CE3' ' A' ' 88' ' ' TRP . 2.8 mm? -67.97 -12.33 60.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' GLU . 6.9 mt-10 -52.42 105.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 7.6 pt-20 -37.29 -37.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.03 -47.0 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE2' ' OE2' ' A' ' 126' ' ' GLU . 33.4 t80 -65.83 -34.71 78.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.19 -49.64 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -58.23 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -40.15 -39.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p 49.85 32.52 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -113.35 104.32 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.49 143.15 8.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.05 160.53 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.46 122.62 38.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.33 151.51 26.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mmt -82.56 13.66 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.02 150.99 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 m -160.56 147.03 15.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -137.58 179.92 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.89 139.11 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.3 m-20 -81.16 46.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASP . 5.8 mtpm? -23.07 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -53.06 -59.72 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.2 -36.13 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 m -60.49 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 16.1 ttm180 -40.01 -43.83 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.95 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.24 -19.37 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 53.8 m-20 -91.25 -46.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -46.41 -20.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 68' ' ' PHE . 2.3 p -108.72 -36.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.513 HH12 ' ND2' ' A' ' 114' ' ' ASN . 0.4 OUTLIER -66.03 -28.5 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.52 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -149.97 75.09 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.73 21.22 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.31 24.94 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 32' ' ' ILE . 86.3 t -150.61 135.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' N ' HG11 ' A' ' 31' ' ' VAL . 6.8 pt -119.31 -21.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.2 p-90 -134.58 158.32 44.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 68' ' ' PHE . 12.3 p -159.38 136.75 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -108.69 149.41 29.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 36.9 m-85 -127.27 98.31 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -99.89 171.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE1' HG12 ' A' ' 43' ' ' ILE . 87.0 m-85 -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -119.78 11.91 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.65 69.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.88 26.1 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -158.03 115.69 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.525 HG12 ' CE1' ' A' ' 38' ' ' TYR . 40.4 mt -64.68 127.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG13 ' CG ' ' A' ' 13' ' ' ASP . 18.9 m -140.29 144.78 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 16' ' ' ALA . 53.8 Cg_exo -52.12 111.55 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.779 2.319 . . . . 0.0 112.295 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.61 -103.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.51 170.27 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -167.75 139.12 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.9 174.7 42.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' O ' HD13 ' A' ' 32' ' ' ILE . . . -96.04 -18.88 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -85.81 105.3 16.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 8.3 t80 -54.54 -28.36 45.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.41 -21.39 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -80.51 -27.43 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -75.2 -46.78 31.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.69 -23.19 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -78.35 1.86 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -109.26 -31.89 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CG ' ' A' ' 88' ' ' TRP . 40.1 m -80.9 117.38 21.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.412 HG23 ' C ' ' A' ' 59' ' ' CYS . 34.7 p -138.27 176.16 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.6 m-20 -75.2 4.72 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -120.48 20.1 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 65' ' ' LEU . 12.7 p -160.09 156.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -147.94 135.18 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -174.51 169.46 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CE1' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -86.77 156.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . . . -140.44 103.05 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD2' HG21 ' A' ' 112' ' ' VAL . 10.2 t80 -86.42 109.24 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 41.2 t -117.33 143.12 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.572 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 18.0 ttt180 -92.85 136.89 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 28.7 m-85 -134.33 113.18 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.61 101.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.1 p -118.18 20.08 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.76 84.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -119.17 -9.41 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.46 -75.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 mmm -100.76 -74.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -94.44 171.45 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -110.32 19.86 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -67.22 167.81 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 1.8 t -112.19 164.83 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 116' ' ' ALA . 40.1 mttt -117.09 -24.36 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 2.8 m-85 53.55 -171.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.22 128.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.2 92.95 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 67' ' ' ALA . 30.2 mt -75.12 100.03 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.0 m -84.23 101.49 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CE3' HD22 ' A' ' 127' ' ' LEU . 59.6 t-105 -88.05 142.86 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 79.7 mt -149.14 99.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.98 134.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -77.44 8.36 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.67 -25.82 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.3 m -50.01 157.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 25.5 t -67.09 140.87 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.77 -50.32 1.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 99' ' ' ALA . 13.4 tp -44.44 -66.82 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 21.0 mt-30 -37.94 -41.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -73.65 -37.02 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -76.47 -21.19 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.8 mmmt -95.63 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 27.8 m -36.81 -37.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.8 -38.5 66.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' LYS . 54.8 m -68.76 -41.07 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.57 -4.82 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' CE ' ' HG3' ' A' ' 118' ' ' GLU . 19.3 ttmt -59.18 -35.28 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.6 m -56.26 -24.96 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mt -78.46 -51.47 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' CE1' ' A' ' 66' ' ' PHE . 38.8 t -62.18 -31.97 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -65.43 -34.4 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -45.32 -37.9 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.6 t -90.9 -39.66 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 68' ' ' PHE . 54.5 t -95.24 99.73 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.19 -32.04 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.513 ' ND2' HH12 ' A' ' 25' ' ' ARG . 4.0 t30 -68.14 -27.16 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.4 -170.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 82' ' ' LYS . . . -97.7 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 44.6 tttt -161.08 164.65 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.2 pm0 -90.71 125.62 35.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -100.33 104.9 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.89 100.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 10.3 mt -110.73 145.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -19.72 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -116.15 126.85 54.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -51.48 -36.23 43.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -52.23 -15.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.59 -18.18 14.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.563 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.2 mm? -67.92 -13.6 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 130' ' ' ASP . 5.1 mt-10 -50.01 105.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.452 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tt0 -38.65 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 128' ' ' GLU . 74.7 m-20 -59.66 -46.17 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 128' ' ' GLU . 30.8 t80 -67.48 -36.8 81.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.592 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 28.7 mm -59.96 -50.71 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.443 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -49.11 -57.44 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.0 m -41.58 -42.29 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -60.7 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 71' ' ' PHE . 79.5 mt -66.52 -33.98 76.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -52.01 -30.43 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -108.65 -32.67 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.918 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 138' ' ' LYS . . . 33.36 45.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.073 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.401 ' H ' ' CD ' ' A' ' 138' ' ' LYS . . . -131.43 142.88 14.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.99 130.09 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.52 157.21 44.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.592 ' O ' ' CD2' ' A' ' 144' ' ' TYR . 13.1 m-20 -72.86 -63.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 143' ' ' ASN . 45.6 p90 47.24 21.96 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -106.23 129.64 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -167.86 171.74 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -134.33 139.95 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.1 m -89.56 19.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 p -41.74 -60.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -38.6 -44.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.38 -115.88 8.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.7 38.69 30.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.78 171.93 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -61.19 126.16 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.5 mmm -152.64 133.61 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.45 176.75 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -112.01 143.77 42.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -116.63 173.33 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.7 tt -140.04 153.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 14' ' ' LYS . 6.6 t0 -89.03 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 13' ' ' ASP . 23.5 mtpt -22.41 -49.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -54.98 -58.15 8.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.52 -37.06 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.491 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 56.6 m -59.56 -61.19 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 38.8 ttp180 -42.74 -43.03 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -65.3 -46.87 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.2 t80 -62.54 -30.3 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 24' ' ' VAL . 65.6 m-20 -75.86 -53.73 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -44.06 -21.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 68' ' ' PHE . 19.4 t -104.16 -31.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 5.1 ptt180 -72.76 -29.69 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASP . 4.4 t0 -51.28 141.84 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASP . 22.2 m-20 -33.07 -57.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.68 81.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.83 -171.51 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.833 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.61 20.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.507 ' CG1' ' HG2' ' A' ' 48' ' ' GLN . 2.8 t -144.86 138.79 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 pt -120.04 -13.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 44.6 p-90 -146.96 159.7 43.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 11.1 p -155.61 149.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 47' ' ' ASP . 11.3 p -122.59 145.74 48.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 20.4 m-85 -123.62 97.8 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -98.91 -178.39 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -102.3 145.25 29.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 1.9 t70 -119.95 13.63 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 74.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.576 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.31 25.36 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -158.76 129.64 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.91 129.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 39' ' ' ASP . 34.8 m -142.9 144.45 29.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 102.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.22 -99.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . 2.2 m-20 -95.14 168.4 10.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 1.9 tt0 -169.12 149.07 4.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.93 177.58 42.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.7 10.18 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 2.0 m-20 -114.75 104.13 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 69' ' ' VAL . 2.9 t80 -52.64 -29.98 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.88 -24.25 64.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -77.95 -29.04 49.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -74.8 -45.08 45.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.1 -17.84 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.24 2.44 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -108.63 -29.07 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.8 m -79.62 117.82 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.406 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 33.1 p -131.24 173.55 10.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.88 7.0 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.74 18.04 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' CG1' ' H ' ' A' ' 60' ' ' THR . 12.7 p -153.91 159.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -151.6 135.22 16.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.64 161.81 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 108' ' ' VAL . 18.2 m-85 -76.78 152.79 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 34' ' ' VAL . . . -140.63 104.47 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 89.5 t80 -93.38 111.65 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 52' ' ' TYR . 22.9 t -117.71 149.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -100.14 125.39 46.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.515 ' CZ ' HG23 ' A' ' 132' ' ' ILE . 17.4 m-85 -116.77 103.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.56 133.18 55.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.4 p -144.92 104.64 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.96 57.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.529 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.03 19.95 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 70.02 26.64 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 78' ' ' SER . 11.6 ptm -119.91 -37.88 3.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 77' ' ' MET . 75.2 m -114.13 -39.87 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.761 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 67.45 13.64 9.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 81' ' ' SER . 12.0 ttt85 -140.19 148.55 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 2.4 p -65.35 151.24 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.656 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 42.7 mmtt -107.79 170.1 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 3.0 m-85 -155.19 158.57 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.66 128.88 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 11.9 tp -80.5 93.51 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.3 mt -73.84 99.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 119' ' ' PHE . 10.2 m -79.78 102.19 8.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.582 ' CZ3' HD21 ' A' ' 127' ' ' LEU . 59.3 t-105 -84.2 141.62 30.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 98' ' ' ARG . 60.2 mt -147.85 100.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -35.01 134.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -74.51 0.02 16.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -112.02 -13.96 13.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 t -54.7 160.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 95' ' ' GLY . 20.0 m -81.19 133.19 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.36 -43.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -60.62 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -55.68 -38.98 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 89' ' ' ILE . 34.8 ttt-85 -71.97 -27.43 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.44 -9.15 59.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.6 mmmt -95.48 -57.93 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 m -34.87 -39.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.27 -40.86 69.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 100' ' ' LYS . 97.1 m -68.29 -34.34 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.98 -5.98 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.456 ' CD ' ' HG3' ' A' ' 118' ' ' GLU . 20.0 ttpt -61.61 -35.56 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.3 m -55.55 -22.16 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.02 -52.86 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG23 ' CD1' ' A' ' 66' ' ' PHE . 61.0 t -57.75 -36.66 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -64.25 -31.57 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.54 -44.51 12.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 77.9 t -78.75 -51.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 p -94.9 97.83 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.87 -28.11 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' PHE . 1.3 p-10 -64.72 -26.4 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.18 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.67 -68.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.517 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 31.8 tttt -160.81 164.73 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -92.05 131.25 37.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.6 m-30 -102.77 110.43 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.21 99.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.467 HG22 ' CD2' ' A' ' 127' ' ' LEU . 1.4 mm -105.59 143.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.0 t -120.06 -16.36 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -127.08 131.83 50.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -52.17 -35.18 48.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -51.52 -19.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.8 mt-10 -100.81 -17.45 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.582 HD21 ' CZ3' ' A' ' 88' ' ' TRP . 4.6 mm? -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.94 106.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -39.66 -33.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.25 -45.99 76.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.25 -35.31 75.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.515 HG23 ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mm -57.3 -54.26 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.48 -55.25 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -42.81 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.46 -52.5 64.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 51.2 mt -59.52 -43.13 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -52.33 -38.29 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -112.52 20.02 17.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -38.04 -42.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.88 -146.84 4.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 133.21 167.14 11.6 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.27 162.44 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -153.64 136.53 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.44 ' HB2' ' NE2' ' A' ' 147' ' ' GLN . 3.1 m-85 -115.37 143.59 45.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 146' ' ' ALA . 10.4 p-10 -69.38 -43.35 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 145' ' ' ASP . . . -36.61 -64.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' A' ' 144' ' ' TYR . 2.6 pm0 -127.68 163.65 23.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.0 m -95.14 146.71 24.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 50.5 41.63 25.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.346 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -139.03 156.54 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.03 168.0 30.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.59 131.22 13.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.46 103.2 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -89.43 106.97 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 mtp 60.98 43.83 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.94 149.77 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 11' ' ' LYS . 11.4 m -161.0 145.06 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' N ' HG23 ' A' ' 10' ' ' THR . 15.4 mtpp -136.15 179.98 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 7.7 tt -140.48 153.43 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -89.59 44.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.2 mtpp -24.61 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.7 mt-10 -56.42 -59.33 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.09 -32.23 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.33 -56.02 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 28.0 ttm180 -42.29 -41.26 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.78 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.513 ' CB ' HG22 ' A' ' 34' ' ' VAL . . . -66.29 -40.0 89.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 114' ' ' ASN . 0.6 OUTLIER -68.55 -16.83 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 76.5 m-20 -94.04 -43.15 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.0 mm? -49.35 -18.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -105.62 -38.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -30.07 70.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.36 158.83 25.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -104.67 18.9 21.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.36 6.56 5.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.9 m -112.35 108.32 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 50' ' ' ALA . . . -39.2 -26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 61.7 t -56.72 130.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.0 -17.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.491 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 52.3 p-90 -139.1 164.8 28.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG22 ' CB ' ' A' ' 20' ' ' ALA . 11.5 p -160.86 146.41 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -117.34 154.58 31.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 43.8 m-85 -130.87 97.5 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.09 172.13 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.511 ' CE2' HG12 ' A' ' 43' ' ' ILE . 51.7 m-85 -95.8 144.08 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 7.3 t70 -109.9 10.68 24.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.66 -82.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.99 8.62 11.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.8 m -148.76 145.55 27.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 38' ' ' TYR . 14.6 mt -74.74 149.65 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' N ' HG21 ' A' ' 43' ' ' ILE . 18.1 m -157.85 146.4 14.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.07 120.06 6.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.89 -96.49 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -94.66 165.75 12.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -166.3 140.61 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.98 46.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.575 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -95.08 -25.78 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.8 107.99 11.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.4 t80 -55.48 -27.15 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -71.23 -20.32 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -80.15 -26.32 39.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -77.89 -39.5 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -70.95 -16.53 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -86.18 4.88 36.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -110.56 -31.29 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 52.4 m -79.77 116.56 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.425 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.8 p -132.83 175.73 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.14 3.17 13.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.75 20.03 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 65' ' ' LEU . 11.6 p -157.52 153.72 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.47 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -146.54 128.95 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.69 162.41 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.55 ' CE1' HG23 ' A' ' 108' ' ' VAL . 16.6 m-85 -79.39 155.36 28.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.72 105.95 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 15.4 t80 -92.45 111.66 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.579 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 66.8 t -115.85 148.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 32.9 ttt180 -87.06 128.98 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.579 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 74.8 m-85 -132.41 100.13 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 134.41 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 82' ' ' LYS . 2.1 t -170.64 105.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.71 133.1 1.7 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.545 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -97.17 -72.25 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.3 -31.92 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 78' ' ' SER . 10.5 ptp -76.59 -34.15 58.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 77' ' ' MET . 1.5 m -112.05 -59.08 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.8 tttm 42.92 22.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -145.24 140.89 28.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 57.5 m -52.17 147.68 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 116' ' ' ALA . 6.2 tttt -104.22 -31.92 9.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 25.3 m-85 65.48 -174.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.29 130.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 118' ' ' GLU . 12.3 tp -87.96 88.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' ' 121' ' ' ILE . 18.0 mt -74.9 104.37 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.07 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 119' ' ' PHE . 25.7 m -84.5 102.94 13.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CE3' HD22 ' A' ' 127' ' ' LEU . 60.5 t-105 -85.22 142.93 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 76.5 mt -149.82 99.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.33 134.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.25 6.53 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.86 -29.18 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.0 m -49.95 151.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 12.4 t -68.72 141.97 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -36.58 -59.74 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -33.91 -61.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.46 -45.7 13.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLY . 23.3 ttt180 -70.28 -32.39 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.13 -16.37 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.36 -46.71 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -51.37 -40.61 59.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.46 -36.47 54.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.5 m -71.14 -35.21 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.413 ' CG ' HG21 ' A' ' 10' ' ' THR . 66.5 m-20 -75.73 -1.06 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.97 -36.9 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -53.93 -25.36 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 107' ' ' LEU . 2.2 mt -80.53 -46.58 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' CE1' ' A' ' 66' ' ' PHE . 98.1 t -67.59 -24.61 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.44 -28.26 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.24 -50.08 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.83 -42.19 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -106.84 99.57 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.05 -20.95 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.468 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -76.54 -19.79 57.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.68 -167.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 82' ' ' LYS . . . -88.84 -69.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.538 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 9.6 tttp -165.62 165.31 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.4 pp20? -85.61 123.22 30.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.8 m-30 -100.45 100.23 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.59 101.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 26.5 mt -113.54 142.17 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -117.61 -19.53 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.98 125.59 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -51.55 -36.71 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -53.54 -14.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.7 mt-10 -103.6 -17.08 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.548 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.0 mm? -68.27 -13.23 62.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -50.31 105.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 pt-20 -39.63 -34.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.404 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 1.6 m-20 -56.29 -45.79 80.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -66.61 -38.33 86.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 119' ' ' PHE . 24.0 mm -58.9 -47.33 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -50.93 -59.51 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -39.66 -38.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.46 -61.02 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 71' ' ' PHE . 79.6 mt -52.86 -40.22 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -49.71 -41.1 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -116.26 18.52 15.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -33.84 -50.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -45.41 154.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 140' ' ' GLY . . . -34.33 139.75 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.83 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -84.79 129.51 34.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -55.17 141.75 33.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.03 -57.76 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.96 127.08 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -144.11 137.87 27.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.2 m -128.97 161.05 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 50.22 42.16 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.23 -53.17 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.0 115.86 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.94 101.54 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.29 -57.07 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 m -61.95 117.28 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttp -74.51 104.0 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.05 155.45 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 11' ' ' LYS . 10.4 m -159.46 147.8 17.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' HG23 ' A' ' 10' ' ' THR . 21.5 mtpp -140.06 179.98 6.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.7 tt -135.46 147.68 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.86 46.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 13' ' ' ASP . 29.4 mttm -22.22 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -53.13 -58.08 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.2 -35.4 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 37.3 m -61.05 -62.19 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 21.6 ttp180 -39.42 -46.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.15 -48.87 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' CB ' HG21 ' A' ' 34' ' ' VAL . . . -65.85 -44.38 85.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' CG1' ' A' ' 112' ' ' VAL . 1.9 t80 -63.31 -20.82 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 35.4 m-20 -85.23 -50.84 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -47.63 -19.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 68' ' ' PHE . 4.5 p -106.01 -33.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 21' ' ' TYR . 1.4 ttt180 -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 1.8 t70 -50.86 142.49 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.09 -56.76 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.7 80.7 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -98.81 -172.85 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 110.804 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.62 19.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 HG12 ' CG ' ' A' ' 48' ' ' GLN . 60.6 t -150.47 139.99 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.31 -21.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -135.64 162.19 33.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.507 HG21 ' CB ' ' A' ' 20' ' ' ALA . 8.5 p -158.94 150.67 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -123.67 148.4 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 50.2 m-85 -128.33 99.73 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.42 176.96 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.462 ' CE1' HG12 ' A' ' 43' ' ' ILE . 77.6 m-85 -98.77 141.8 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.57 14.75 12.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.19 72.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.35 27.12 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -157.48 110.4 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' A' ' 38' ' ' TYR . 16.9 mt -62.57 133.86 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 HG11 ' CG ' ' A' ' 13' ' ' ASP . 14.1 m -147.69 142.02 16.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.01 106.02 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.298 . . . . 0.0 112.318 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.49 -99.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.87 172.75 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 15.8 tt0 -171.05 155.55 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.62 174.6 36.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.22 -8.65 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.451 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -94.84 106.24 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.7 t80 -54.59 -28.67 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.38 -21.52 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -79.88 -27.17 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.549 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.81 -42.64 39.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.78 -16.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -85.56 3.52 40.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -108.12 -33.31 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.529 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.3 m -76.81 116.4 17.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.418 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 30.2 p -134.12 174.42 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -75.23 3.19 9.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -120.26 20.02 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 65' ' ' LEU . 10.7 p -159.09 151.27 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -144.95 130.47 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.28 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 108' ' ' VAL . 8.9 m-85 -86.75 155.11 20.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . . . -139.81 108.96 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 24' ' ' VAL . 4.0 t80 -98.64 111.91 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 HG13 ' CE2' ' A' ' 52' ' ' TYR . 12.4 t -121.71 153.88 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.43 115.82 29.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.571 ' CZ ' HG22 ' A' ' 132' ' ' ILE . 43.7 m-85 -109.78 -174.78 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.45 101.38 2.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.95 -38.56 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' CA ' ' HA ' ' A' ' 79' ' ' LYS . . . 62.57 111.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.92 -28.57 5.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 31.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.9 mmt 67.54 30.27 6.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.5 p -169.15 100.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HA ' ' CA ' ' A' ' 74' ' ' GLY . 35.9 pttt -80.68 99.92 8.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -101.88 -72.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.96 117.78 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' C ' ' CG ' ' A' ' 83' ' ' PHE . 1.1 mmmp? -108.75 177.21 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 4.8 m-85 -155.53 169.81 23.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.79 133.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 tp -81.43 91.28 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -72.59 99.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' PHE . 18.4 m -82.34 99.84 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.4 t-105 -84.5 141.81 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 80.8 mt -148.77 100.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.11 133.34 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -75.63 6.56 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.406 . . . . 0.0 110.938 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -119.03 -23.31 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -50.46 149.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.5 t -70.83 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.61 -52.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD23 ' CG ' ' A' ' 100' ' ' LYS . 3.6 tt -39.15 -65.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.91 -45.82 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -68.77 -34.18 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.78 -18.65 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' CG ' HD23 ' A' ' 96' ' ' LEU . 6.0 mmpt? -95.93 -38.5 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -59.24 -37.18 76.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.84 -40.62 44.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.9 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.422 ' C ' HD12 ' A' ' 107' ' ' LEU . 11.6 m-20 -87.22 10.18 17.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -81.41 -32.45 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 9.0 m -59.49 -15.82 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.7 mp -84.1 -45.32 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.9 t -62.64 -39.34 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 110' ' ' GLU . 21.5 ttpt -61.24 -37.71 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 106' ' ' THR . 2.1 mm-40 -46.36 -48.64 18.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 97.3 t -70.52 -51.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' A' ' 112' ' ' VAL . 2.2 m -95.9 111.59 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -125.87 -25.92 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 115' ' ' PHE . 5.4 t-20 -64.07 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.1 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.22 -68.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 26.1 tttt -158.44 165.26 35.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pp20? -86.81 128.38 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 135' ' ' GLU . 8.0 m-30 -102.39 103.49 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.478 ' CG2' ' OE1' ' A' ' 118' ' ' GLU . 95.0 t -81.87 101.95 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 20.6 mt -112.86 142.81 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.25 -17.41 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -117.14 127.24 53.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -52.3 -37.82 56.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.37 -15.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.2 mt-10 -102.11 -19.34 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.573 HD21 ' CE3' ' A' ' 88' ' ' TRP . 2.9 mm? -65.97 -15.37 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.3 105.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.9 pt-20 -39.15 -34.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.42 -45.04 80.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.53 -38.97 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.571 HG22 ' CZ ' ' A' ' 71' ' ' PHE . 31.1 mm -51.4 -49.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.95 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -40.07 -40.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 139' ' ' ALA . 13.3 mm-40 -64.4 -62.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 119' ' ' PHE . 74.0 mt -45.6 -47.57 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -47.72 -41.77 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -113.48 19.34 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' GLU . . . -52.43 173.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.13 116.72 9.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -115.32 -105.28 2.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -161.7 176.23 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 144' ' ' TYR . 7.0 m120 -49.97 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.528 ' CD1' ' HB2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -114.95 119.19 35.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -115.88 19.52 15.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -51.55 -57.19 9.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -164.77 140.53 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.0 m -74.26 122.71 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 53.47 42.18 32.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -97.74 -44.18 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.07 112.42 1.69 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.63 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.56 120.71 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.8 m -110.64 149.54 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.1 mtm -53.24 128.97 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.22 -170.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.5 m -112.03 145.64 39.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -121.88 163.62 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 12.2 tt -127.41 148.83 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -85.26 46.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 13' ' ' ASP . 43.5 mttt -25.52 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.6 mt-10 -57.9 -60.43 3.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.16 -33.26 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.02 -54.67 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 49.2 ttp180 -47.58 -35.38 9.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.92 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.11 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 1.1 t80 -62.1 -23.56 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 66.5 m-20 -86.53 -45.38 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 29' ' ' SER . 2.7 mm? -50.12 -17.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.3 t -107.52 -30.13 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 14.4 ptt85 -75.5 -30.75 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 18.7 t70 -54.58 167.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -53.7 -52.64 59.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.26 69.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.533 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 11.6 m -82.23 20.57 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 110.818 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.0 26.91 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' A' ' 48' ' ' GLN . 2.0 t -145.51 131.82 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.14 -13.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 51.4 p-90 -142.49 141.73 32.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.62 121.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -94.29 152.74 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -132.35 98.78 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -100.86 174.71 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CE1' HG12 ' A' ' 43' ' ' ILE . 72.3 m-85 -93.3 145.92 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.8 16.94 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.67 70.69 0.3 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.69 27.22 4.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 m -161.5 117.47 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.408 HG12 ' CE1' ' A' ' 38' ' ' TYR . 22.7 mt -64.68 139.55 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG12 ' CG ' ' A' ' 13' ' ' ASP . 12.1 m -156.24 141.67 12.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.752 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.0 124.07 13.89 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.748 2.299 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.6 -99.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -81.72 163.09 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.491 ' CG ' HG13 ' A' ' 31' ' ' VAL . 18.2 tt0 -160.27 139.92 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.05 169.51 34.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 13.39 33.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 4.4 t0 -112.53 103.13 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.3 -29.57 24.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -69.56 -25.27 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.04 -30.12 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -75.08 -44.02 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.4 -17.47 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.19 0.95 46.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -108.25 -33.61 7.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.513 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.5 m -76.07 116.08 16.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 80.0 p -134.89 175.73 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.079 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.31 5.98 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 62' ' ' ASP . 24.5 t70 -120.86 19.64 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.488 HG22 ' CD1' ' A' ' 65' ' ' LEU . 8.2 p -161.46 152.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.478 ' NE ' ' HG2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -145.48 133.45 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.72 173.35 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE1' HG21 ' A' ' 108' ' ' VAL . 8.3 m-85 -89.91 162.43 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 106.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 70.0 t80 -92.02 106.77 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.497 HG13 ' CZ ' ' A' ' 71' ' ' PHE . 91.1 t -114.34 145.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 6.8 ttp180 -94.3 131.75 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 44.8 m-85 -127.73 106.4 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.32 118.59 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.9 p -103.76 109.51 21.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -102.6 -29.89 5.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -50.95 -17.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.822 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' C ' ' SD ' ' A' ' 77' ' ' MET . . . -81.35 13.1 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 68.31 4.13 4.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.9 p -144.97 137.8 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -78.77 113.38 16.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -154.3 177.86 10.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 2.1 m -131.03 122.21 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 116' ' ' ALA . 4.3 tppt? -98.77 -21.72 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 1.7 m-85 56.06 -171.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -176.74 127.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 3.6 tp -80.49 88.21 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.52 103.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -88.31 99.91 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CZ3' HD23 ' A' ' 127' ' ' LEU . 56.7 t-105 -82.15 142.88 31.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 61.7 mt -149.15 100.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.71 132.01 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.61 0.76 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -116.75 -20.19 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.6 m -50.52 147.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.9 t -67.45 142.87 56.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.99 -59.49 0.59 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.4 tt -33.83 -69.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.478 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 11.6 mp0 -41.44 -46.22 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.54 -33.18 74.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.15 -15.94 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -95.37 -39.42 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -54.42 -39.2 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.66 -37.46 45.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.5 m -70.14 -32.11 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -84.69 5.7 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.82 -33.86 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m -59.52 -20.54 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -83.14 -48.92 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.9 t -63.11 -30.6 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -68.47 -33.41 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 2.7 mm-40 -48.79 -42.18 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 85.6 t -86.58 -33.48 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 75.7 t -102.57 93.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -120.58 -32.21 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.58 -21.13 65.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -59.04 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.466 ' HB3' ' CG ' ' A' ' 82' ' ' LYS . . . -95.49 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.565 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 13.7 tttp -160.63 163.56 32.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pp20? -88.13 123.53 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.469 ' CD2' HG23 ' A' ' 132' ' ' ILE . 7.5 m-30 -99.02 100.58 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.35 101.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 22.4 mt -109.76 145.55 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 p -119.68 -16.92 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.454 ' CG ' ' NZ ' ' A' ' 125' ' ' LYS . 3.9 t0 -119.01 127.19 53.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -52.43 -36.86 55.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.454 ' NZ ' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -53.83 -14.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 18.9 mt-10 -102.62 -17.4 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.567 HD23 ' CZ3' ' A' ' 88' ' ' TRP . 4.0 mm? -68.19 -13.96 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.2 mt-10 -49.99 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' GLU . 7.0 pt-20 -36.53 -34.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.37 -48.69 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.98 -34.77 78.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.8 mm -62.45 -54.31 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -56.18 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 m -42.99 -37.88 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.86 -56.73 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 71' ' ' PHE . 76.4 mt -50.89 -41.38 58.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -39.97 -45.71 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -96.42 -46.45 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 60.62 43.64 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.67 -173.91 38.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.68 45.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -133.53 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -140.66 116.13 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -116.64 -40.0 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -59.7 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.96 159.02 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 149' ' ' GLU . 95.5 p -146.37 163.06 36.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 148' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -68.77 100.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.82 166.36 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.84 130.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.91 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.6 136.09 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -137.26 162.41 33.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 mmt -57.98 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 170.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 11' ' ' LYS . 10.8 m -152.84 147.31 25.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' HG23 ' A' ' 10' ' ' THR . 10.0 mtpp -138.75 -179.23 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.61 152.67 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.7 t0 -91.13 43.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 13' ' ' ASP . 4.9 mtmp? -21.97 -50.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' ASP . 7.5 pt-20 -54.07 -56.97 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.64 -38.21 77.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.46 -59.03 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 19' ' ' ALA . 4.3 tmm_? -47.02 -41.04 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 18' ' ' ARG . . . -60.98 -47.47 86.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.91 81.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -66.47 -16.9 64.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.401 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 66.8 m-20 -91.23 -38.61 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -57.62 -19.25 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 31' ' ' VAL . 38.4 t -104.34 -37.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -26.79 60.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -74.88 179.89 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -114.9 -5.07 12.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.28 -22.42 24.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.1 m -97.2 102.59 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.94 -20.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.9 t -49.95 136.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.94 -14.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.489 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 p-90 -142.33 144.82 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -145.01 123.34 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -95.04 152.78 18.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -130.59 97.29 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 174.16 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -94.64 147.48 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 8.9 t0 -119.96 14.85 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.22 75.98 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.84 22.92 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.7 m -158.88 133.16 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.436 ' C ' HG13 ' A' ' 44' ' ' VAL . 26.5 mt -78.66 137.39 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG13 ' C ' ' A' ' 43' ' ' ILE . 32.7 m -149.84 140.92 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.01 116.9 3.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.301 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.98 -112.33 0.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.67 166.8 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' CG ' HG11 ' A' ' 31' ' ' VAL . 21.7 tt0 -163.05 140.9 7.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.02 171.86 35.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.95 -16.15 21.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 22.9 t0 -83.62 104.87 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.6 t80 -54.94 -29.07 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -68.66 -21.61 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -80.07 -27.54 39.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.489 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.34 -41.88 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.63 -16.68 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 4.8 mm-40 -85.64 3.01 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -109.1 -30.69 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -78.63 116.03 18.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.427 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 21.4 p -132.88 177.98 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.72 7.47 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.28 20.03 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 65' ' ' LEU . 11.9 p -157.39 153.77 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.692 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -146.95 126.14 12.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -163.15 168.83 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 108' ' ' VAL . 7.5 m-85 -87.69 161.84 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -147.79 109.51 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 72.3 t80 -95.2 107.14 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 20.4 t -113.17 144.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' NH2' ' HB3' ' A' ' 81' ' ' SER . 14.9 ttt85 -93.57 133.89 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 14.4 m-85 -128.49 100.6 5.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 101.77 13.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.9 p -78.71 -51.51 9.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.8 63.4 3.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.94 -48.37 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.18 165.22 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 82.7 mmm -39.33 -58.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 t -74.29 107.4 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -98.86 123.97 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.426 ' HB3' ' NH2' ' A' ' 70' ' ' ARG . 5.0 p -88.82 122.47 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.825 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 18.9 mmmt -99.84 174.4 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 2.5 m-85 -163.0 161.08 25.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.35 129.39 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD23 ' CG1' ' A' ' 108' ' ' VAL . 7.2 tp -81.49 94.77 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.0 99.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.8 m -81.64 100.61 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.562 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 60.2 t-105 -85.62 141.62 29.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.496 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 55.4 mt -147.97 100.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -35.35 136.29 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -77.93 9.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -116.07 -27.89 6.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.2 m -51.07 146.09 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.204 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLY . 23.2 t -61.39 141.02 57.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -37.17 -52.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.0 tt -39.68 -67.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -39.88 -48.22 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -65.61 -33.72 76.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -75.9 -17.72 59.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.466 ' CG ' HD22 ' A' ' 96' ' ' LEU . 5.3 mmpt? -95.17 -38.33 10.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -56.68 -32.41 65.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.89 -32.2 57.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.5 m -77.82 -40.84 39.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.44 -9.15 55.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -58.67 -35.76 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 19.0 m -58.24 -23.13 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 107' ' ' LEU . 5.3 mt -77.31 -50.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 66' ' ' PHE . 40.4 t -63.42 -30.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.448 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 1.5 tmmm? -65.91 -42.97 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LYS . 1.8 mm-40 -37.3 -39.33 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.3 -44.89 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 21' ' ' TYR . 89.0 t -90.58 98.73 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.17 -37.81 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 6.7 t30 -61.43 -29.18 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.05 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 -66.77 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.534 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 6.8 tttp -162.53 165.98 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -88.49 127.19 35.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.2 m-30 -101.28 106.75 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.6 t -83.38 100.44 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 31.5 mt -112.58 142.47 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.415 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.62 -17.14 8.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -117.14 126.9 53.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -51.9 -35.6 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -53.46 -15.77 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.9 mt-10 -103.48 -16.09 15.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.562 HD22 ' CZ3' ' A' ' 88' ' ' TRP . 4.0 mm? -69.1 -14.12 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' PHE . 10.1 mt-10 -50.0 106.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 47.1 tt0 -39.33 -35.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -56.91 -44.06 82.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 35.2 t80 -67.84 -36.49 80.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.9 -48.75 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.98 -58.31 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.0 t -40.63 -39.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -67.4 -55.74 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -50.18 -37.75 36.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -48.1 -38.83 18.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' ALA . 2.5 pttm -112.43 18.09 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -35.83 -61.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.35 -105.38 1.89 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -175.17 166.46 38.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -42.07 -46.63 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.08 176.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 67.58 42.03 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -165.18 151.16 9.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.39 153.98 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -52.48 135.79 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.7 m -122.32 119.66 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -92.89 -29.07 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -53.04 -41.89 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.43 46.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.65 117.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -143.75 166.48 24.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 m 60.94 40.25 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 mmt -141.12 103.14 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.91 153.63 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 11' ' ' LYS . 15.8 m -161.56 145.72 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 10' ' ' THR . 18.6 mtpt -136.16 -179.79 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 tt -145.03 150.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -92.08 49.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 13' ' ' ASP . 28.8 mtpt -26.3 -43.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -56.84 -58.79 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB2' ' CD ' ' A' ' 45' ' ' PRO . . . -71.04 -32.88 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -62.99 -52.8 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 24.0 ttp180 -51.6 -34.1 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . -66.33 -47.33 73.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.79 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.9 OUTLIER -67.27 -17.24 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 83.1 m-20 -92.11 -43.42 9.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.9 mm? -53.29 -16.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG13 ' CD1' ' A' ' 68' ' ' PHE . 5.1 p -106.03 -39.7 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -28.94 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.71 159.88 33.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -104.97 18.95 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.66 3.73 6.55 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' VAL . 2.0 m -113.27 107.07 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' ALA . . . -38.85 -24.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 t -60.58 128.02 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -119.34 -15.62 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.9 p-90 -139.27 144.59 38.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -144.24 134.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -104.57 153.11 21.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -127.98 96.39 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.53 171.41 7.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.527 ' CE2' HG12 ' A' ' 43' ' ' ILE . 81.8 m-85 -97.27 147.44 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -119.98 9.11 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.54 70.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.571 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 70.03 22.1 5.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -153.37 118.91 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG12 ' CE2' ' A' ' 38' ' ' TYR . 32.1 mt -66.51 136.05 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 HG11 ' C ' ' A' ' 43' ' ' ILE . 31.6 m -150.43 146.09 19.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 16' ' ' ALA . 53.8 Cg_exo -52.19 113.24 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.53 -99.59 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' OE1' ' A' ' 58' ' ' GLN . 10.6 m-20 -90.35 169.38 11.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -163.65 139.99 6.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 171.82 38.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -94.06 -21.68 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 9.1 t0 -82.69 105.69 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 5.5 t80 -54.32 -27.69 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -67.96 -23.43 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.11 -28.21 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.43 -42.3 44.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.58 -17.19 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -85.28 2.02 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' OE1' ' OD1' ' A' ' 47' ' ' ASP . 11.9 mm-40 -107.34 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.3 m -75.81 116.59 16.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 30.8 p -130.19 172.07 12.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.18 0.4 21.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -119.64 18.2 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 65' ' ' LEU . 7.1 p -153.06 152.47 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.505 ' NE ' ' OE1' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -144.17 136.52 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -173.45 164.78 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 108' ' ' VAL . 15.8 m-85 -81.44 158.05 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -146.91 101.46 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.553 ' CD2' HG23 ' A' ' 112' ' ' VAL . 6.9 t80 -90.18 118.26 29.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 29.9 t -121.77 143.64 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 ttt180 -96.82 120.23 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -114.26 103.4 11.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.2 154.68 4.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.2 p -152.11 157.62 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -155.11 -140.35 2.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.28 42.84 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' MET . . . -153.54 169.55 22.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' ALA . 7.9 tpt -36.18 -48.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.4 m -130.37 168.69 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -91.23 143.03 27.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -151.62 177.33 10.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -130.41 147.29 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 27.1 mmmt -111.36 174.18 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 3.7 m-85 -157.93 173.32 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.57 125.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 118' ' ' GLU . 11.1 tp -76.0 90.58 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ALA . 18.4 mt -70.47 100.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.1 m -85.78 101.22 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.5 t-105 -84.72 143.52 29.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 90' ' ' GLY . 59.9 mt -150.2 99.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.26 138.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.94 11.16 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.45 -28.59 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -50.46 146.39 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 40.5 t -63.37 145.01 56.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -34.71 -58.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' ALA . 6.5 tp -33.97 -70.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' OE1' ' NE ' ' A' ' 64' ' ' ARG . 1.7 mm-40 -38.97 -39.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -77.07 -33.46 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.54 -17.4 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -96.91 -50.33 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.8 m -47.21 -32.35 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.11 -27.95 51.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.4 m -79.55 -33.83 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -77.83 -2.21 35.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -59.62 -37.17 77.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.514 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 22.6 m -55.52 -23.29 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 107' ' ' LEU . 5.0 mt -79.02 -49.87 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 66' ' ' PHE . 33.7 t -63.34 -31.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -66.54 -39.65 88.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.46 -42.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.7 t -80.49 -48.67 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.553 HG23 ' CD2' ' A' ' 68' ' ' PHE . 2.6 p -100.43 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -119.88 -29.66 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.2 t30 -63.69 -26.36 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.61 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.27 -66.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 1.8 ttmt -164.91 157.04 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.491 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 5.2 pt-20 -84.87 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.5 m-30 -108.85 106.9 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.2 t -82.73 100.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.486 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 23.6 mt -110.94 144.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.441 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -118.41 -18.88 9.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -114.55 124.68 52.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -51.75 -35.52 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -15.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -102.66 -15.88 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.576 HD21 ' CE3' ' A' ' 88' ' ' TRP . 3.6 mm? -68.71 -14.72 63.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.4 mt-10 -49.95 105.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 41.9 tt0 -37.11 -34.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -56.69 -47.3 80.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 128' ' ' GLU . 51.9 t80 -66.36 -36.77 83.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.413 HG23 ' CZ ' ' A' ' 71' ' ' PHE . 32.0 mm -56.82 -52.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -58.6 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.4 m -41.01 -44.49 2.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 139' ' ' ALA . 5.4 mm-40 -59.85 -61.78 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 56.9 mt -42.82 -42.65 3.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -48.78 -40.67 29.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.38 6.41 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 135' ' ' GLU . . . -49.85 110.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -106.75 -116.12 4.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.432 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 67.92 45.55 72.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 55.22 44.09 28.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 111.072 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 143' ' ' ASN . 21.0 p-10 -81.03 101.52 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.85 179.43 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -88.21 143.68 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.11 140.08 32.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -132.75 144.48 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.4 m -150.34 128.84 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.921 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m 54.68 40.8 32.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -100.03 -42.97 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.58 113.39 5.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.5 -43.81 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.52 62.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.415 ' CG2' ' H ' ' A' ' 8' ' ' MET . 0.2 OUTLIER 69.69 -170.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.415 ' H ' ' CG2' ' A' ' 7' ' ' THR . 1.7 ttt -156.39 172.84 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.67 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -71.92 151.56 43.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -133.04 168.42 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.18 143.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.9 m-20 -82.45 44.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.5 mtmp? -22.53 -49.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.5 pt-20 -53.33 -58.91 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.89 -35.2 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.13 -62.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 31.8 ttp180 -43.56 -38.37 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -64.46 -45.8 85.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.456 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.3 t80 -60.64 -21.09 62.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.4 m-20 -88.58 -44.86 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' SER . 3.7 mm? -52.18 -18.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG2' HG11 ' A' ' 31' ' ' VAL . 20.7 t -104.99 -40.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 114' ' ' ASN . 3.9 ttt85 -65.83 -32.81 74.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -70.4 124.93 25.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.4 2.32 5.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.41 -7.91 47.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 2.1 m -107.1 109.96 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 50' ' ' ALA . . . -38.07 -31.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG11 ' CG2' ' A' ' 24' ' ' VAL . 2.1 t -50.07 132.18 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -120.77 -16.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.544 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 43.3 p-90 -140.03 156.78 46.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 8.3 p -155.23 139.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 p -110.5 151.35 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 53.3 m-85 -129.18 97.9 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -97.81 172.19 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CE2' HG12 ' A' ' 43' ' ' ILE . 89.1 m-85 -91.85 147.07 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -119.89 17.6 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 73.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 68.82 24.21 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -158.05 123.75 4.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' CE2' ' A' ' 38' ' ' TYR . 24.7 mt -70.78 133.88 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 HG13 ' CG ' ' A' ' 13' ' ' ASP . 10.7 m -148.46 147.14 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.06 117.22 3.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.279 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.09 -104.57 1.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 18.9 m-20 -86.81 167.71 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 1.3 tt0 -168.21 150.47 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.93 174.83 38.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.41 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 30' ' ' ALA . . . -96.25 -12.69 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.14 104.51 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 4.2 t80 -53.12 -29.51 31.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -69.33 -23.32 63.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -77.44 -27.85 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.11 -45.95 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.411 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 90.8 mt -63.62 -21.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 6.1 mm-40 -80.59 1.38 29.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 15.2 mm-40 -105.31 -45.87 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 88' ' ' TRP . 4.9 p -67.99 116.11 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.448 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 26.1 p -129.35 -179.75 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.89 3.26 20.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.08 18.61 12.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG1' ' H ' ' A' ' 60' ' ' THR . 7.3 p -156.46 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.88 123.73 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.13 165.03 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 108' ' ' VAL . 11.6 m-85 -84.8 155.1 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.25 103.54 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 78.2 t80 -89.51 111.84 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 10.8 t -117.53 145.55 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 2.3 ttp180 -90.17 131.41 36.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 65.3 m-85 -131.13 104.98 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.461 ' HG1' ' N ' ' A' ' 73' ' ' THR . 29.9 p -44.43 -46.43 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' ' HG1' ' A' ' 72' ' ' THR . 62.5 p 44.32 -170.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 161.12 125.88 0.8 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -109.05 17.72 21.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 69.8 -1.86 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -91.82 -54.25 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -148.43 110.6 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.85 107.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -168.2 135.57 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -55.37 147.74 16.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -115.07 -29.55 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.496 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 20.4 m-85 62.58 -175.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.02 126.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 12.9 tp -87.47 93.85 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -76.97 103.71 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 119' ' ' PHE . 16.6 m -84.8 100.82 11.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 59' ' ' CYS . 58.6 t-105 -81.92 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 90' ' ' GLY . 75.2 mt -153.98 99.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.24 136.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.439 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.54 6.14 15.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.56 -21.18 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 97' ' ' GLN . 2.6 t -50.69 159.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 24.7 t -74.46 134.66 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.86 -47.9 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.466 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.468 HD21 ' CG ' ' A' ' 100' ' ' LYS . 4.9 tt -55.03 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' HG12 ' A' ' 93' ' ' VAL . 11.6 mt-30 -51.96 -37.87 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -75.26 -29.25 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.41 -9.28 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' HD21 ' A' ' 96' ' ' LEU . 9.2 mmpt? -92.25 -39.88 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -55.99 -40.63 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.59 89.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.8 m -72.0 -38.73 69.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -73.7 -7.06 50.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -58.48 -35.42 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -57.56 -23.92 53.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 107' ' ' LEU . 3.3 mt -80.67 -51.55 8.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.581 HG23 ' CD1' ' A' ' 66' ' ' PHE . 43.8 t -60.74 -31.49 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -66.83 -38.26 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.78 -38.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.58 -43.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 68' ' ' PHE . 80.4 t -93.19 99.49 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -123.05 -32.03 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 25' ' ' ARG . 2.5 p-10 -67.79 -26.84 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.49 -170.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.615 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.6 tttp -161.15 163.65 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -88.19 123.56 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.8 m-30 -99.2 101.67 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 p -82.33 100.49 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.591 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 33.7 mt -109.54 143.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 p -119.8 -16.76 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.8 126.37 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -50.84 -36.64 38.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.59 -16.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.7 mt-10 -103.58 -19.09 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 121' ' ' ILE . 2.8 mm? -66.44 -13.77 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' PHE . 6.9 mt-10 -50.32 106.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 31.4 tt0 -38.77 -36.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -55.57 -44.45 76.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.51 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 41.0 t80 -68.15 -35.25 77.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.45 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 35.6 mm -59.2 -49.87 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.411 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -49.76 -60.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 t -39.34 -41.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.19 -57.49 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 71' ' ' PHE . 67.6 mt -54.75 -37.83 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -51.04 -40.45 58.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -115.81 19.53 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -31.78 -65.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 70.29 131.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.6 0.95 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -123.93 108.37 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -67.06 145.75 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -94.35 139.28 31.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -43.41 42.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -38.73 -49.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -70.67 124.43 24.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 27.4 m -83.54 141.49 31.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -83.0 -52.49 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 pm0 -79.01 167.94 20.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 67.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.3 140.16 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.13 137.94 32.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.8 p -99.13 172.67 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -48.52 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 173.76 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 11' ' ' LYS . 21.6 m -156.19 141.49 17.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.193 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 11' ' ' LYS . 4.1 mmpt? -118.75 165.74 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 15.7 tt -129.66 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -91.9 44.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.6 mtpp -22.13 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.1 mt-10 -55.93 -61.31 2.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -63.98 -31.84 73.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 m -65.47 -55.56 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -40.08 -40.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.6 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.45 88.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -62.21 -21.26 64.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -91.45 -42.88 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.6 mm? -50.36 -16.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 p -112.14 -37.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -67.02 -31.07 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 17.1 t70 -60.61 169.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -56.92 -60.81 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.89 72.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 1.2 m -82.08 19.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.07 15.12 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.4 t -140.41 128.92 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 pt -112.63 -11.33 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.516 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 40.4 p-90 -143.8 145.66 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -147.43 130.24 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -99.93 158.44 15.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -134.24 95.48 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -99.93 172.19 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CE2' HG12 ' A' ' 43' ' ' ILE . 69.9 m-85 -92.82 143.18 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -116.73 14.22 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.58 73.57 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.21 22.2 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -157.44 120.9 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG12 ' CE2' ' A' ' 38' ' ' TYR . 13.8 mt -69.74 139.84 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' CG ' ' A' ' 13' ' ' ASP . 11.8 m -154.69 149.74 20.52 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 120.1 6.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.42 -97.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.94 176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -159.18 155.83 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.62 164.85 14.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.62 -16.74 28.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.02 103.44 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 129' ' ' GLU . 6.1 t80 -54.77 -26.53 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 8.5 mm-40 -68.41 -21.97 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -78.97 -28.08 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -76.78 -42.55 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.75 -17.68 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -84.07 1.92 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -108.12 -30.25 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.529 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.4 m -76.7 115.73 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.446 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 16.5 p -130.29 172.37 11.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -75.64 2.54 11.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -120.18 19.77 12.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 65' ' ' LEU . 9.1 p -156.08 152.93 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -145.24 135.24 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.9 166.77 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 108' ' ' VAL . 12.7 m-85 -82.07 157.2 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . . . -143.83 102.46 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD2' HG21 ' A' ' 112' ' ' VAL . 9.1 t80 -91.56 114.89 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG11 ' CE1' ' A' ' 71' ' ' PHE . 20.1 t -120.72 144.7 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 27' ' ' ASP . 21.9 ttt180 -99.9 116.91 33.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 132' ' ' ILE . 18.1 m-85 -108.65 101.18 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.72 100.0 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 t -119.84 -30.87 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.215 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.91 -66.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.29 6.4 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.54 176.41 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -61.06 -59.7 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -53.0 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -89.26 116.53 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -100.26 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 p -151.54 140.89 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 26.6 mtpt -104.85 170.35 7.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -159.05 169.69 23.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.7 134.52 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' CD2' HG13 ' A' ' 108' ' ' VAL . 12.2 tp -82.2 92.07 6.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mt -73.8 100.14 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 m -84.45 100.05 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.584 ' CH2' ' O ' ' A' ' 122' ' ' SER . 59.6 t-105 -84.2 138.1 33.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.499 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 48.7 mt -146.23 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.39 122.01 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -3.0 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -108.8 -22.75 12.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 90' ' ' GLY . 19.2 m -53.66 150.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 66.4 m -58.52 131.84 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.53 -54.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.482 HD23 ' CG ' ' A' ' 100' ' ' LYS . 2.9 tt -39.36 -65.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -38.83 -44.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -68.97 -37.12 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -70.14 -17.42 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.482 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -95.52 -41.8 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -51.83 -38.13 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.34 71.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -73.41 -36.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 m-20 -73.21 -3.49 27.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.419 ' HD3' ' CD ' ' A' ' 118' ' ' GLU . 6.3 ttpt -67.52 -32.98 74.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.5 m -52.08 -24.23 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -83.18 -52.9 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.573 HG23 ' CZ ' ' A' ' 66' ' ' PHE . 20.9 t -59.37 -29.21 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.8 -29.88 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 21.7 mm-40 -50.23 -48.23 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.11 -39.19 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.552 HG21 ' CD2' ' A' ' 68' ' ' PHE . 37.3 t -96.99 99.17 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.83 -36.32 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.7 m120 -61.81 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -51.92 -172.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.33 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 16.3 tttt -160.89 164.97 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pt-20 -88.1 130.32 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.514 ' CZ ' HD22 ' A' ' 136' ' ' LEU . 6.0 m-30 -102.78 100.4 10.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.76 102.35 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 32.8 mt -115.12 146.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.584 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.48 -21.85 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.77 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -53.74 -33.46 55.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -53.92 -18.71 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 15.8 mt-10 -101.82 -13.85 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.576 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.7 mm? -70.54 -15.65 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' PHE . 5.7 mt-10 -50.05 106.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -36.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 1.2 p30 -55.49 -46.09 76.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 56.6 t80 -66.57 -36.03 81.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.535 HG22 ' CZ ' ' A' ' 71' ' ' PHE . 28.3 mm -55.27 -50.39 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -51.51 -58.94 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -40.47 -38.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.23 -60.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 119' ' ' PHE . 96.5 mt -42.41 -38.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -53.28 -40.91 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -115.76 19.4 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -34.75 -50.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.91 78.09 0.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -174.58 70.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -117.06 161.78 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.16 101.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -39.52 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -46.38 -45.39 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 44.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.9 m -50.85 -54.08 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -80.81 -44.89 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -51.58 129.72 26.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.51 17.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.01 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 154.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.8 m -139.62 118.74 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.66 171.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 69.77 -170.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.043 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 m -162.14 146.46 12.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -136.27 -179.08 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 tt -145.33 138.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.541 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.1 m-20 -81.53 47.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 13' ' ' ASP . 65.8 mttt -25.56 -48.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ASP . 10.3 pt-20 -53.32 -54.53 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -72.36 -34.0 67.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -62.31 -60.59 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 47.7 ttp180 -44.96 -42.46 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.86 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.502 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -64.47 -40.1 95.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -22.2 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.473 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 50.1 m-20 -86.16 -46.92 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 2.5 mm? -48.0 -20.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.408 HG23 ' C ' ' A' ' 32' ' ' ILE . 3.5 p -104.72 -27.61 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -77.64 -25.6 49.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -75.98 172.21 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -108.47 -15.55 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.34 0.23 77.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' VAL . 2.5 m -110.81 104.95 13.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.12 -20.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' A' ' 48' ' ' GLN . 92.8 t -57.16 130.34 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' C ' HG23 ' A' ' 24' ' ' VAL . 5.5 pt -119.97 -14.58 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 51.0 p-90 -142.72 163.8 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG23 ' CB ' ' A' ' 20' ' ' ALA . 11.7 p -161.88 140.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 ' CG2' HD23 ' A' ' 65' ' ' LEU . 4.2 p -109.43 155.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 83.1 m-85 -133.67 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -99.97 175.76 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CE2' HG12 ' A' ' 43' ' ' ILE . 53.2 m-85 -100.4 146.74 26.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -121.05 17.9 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.39 66.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 70.0 26.47 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -155.73 112.63 3.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.545 HG12 ' CE2' ' A' ' 38' ' ' TYR . 17.9 mt -63.19 139.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.6 m -155.35 142.72 13.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.13 107.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.767 2.312 . . . . 0.0 112.258 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.02 -96.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -92.37 169.66 10.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.492 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 27.2 tt0 -169.97 146.82 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.38 176.68 41.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.37 -27.16 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 106.96 12.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.38 -27.15 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -67.01 -23.61 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -76.79 -28.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.506 ' CE1' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -76.12 -45.3 34.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.02 -19.35 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.469 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.1 mm-40 -81.18 0.84 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -107.71 -30.36 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.8 m -76.89 116.0 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.6 p -134.43 172.81 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.18 5.12 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.01 17.11 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' ARG . 7.6 p -155.77 161.18 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -152.54 124.94 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.654 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.52 169.8 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.1 m-85 -88.23 154.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.9 109.82 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 29.2 t80 -94.27 109.97 21.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.621 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 55.6 t -113.07 140.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' N ' HG11 ' A' ' 69' ' ' VAL . 43.2 ttt-85 -89.43 124.37 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.621 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 37.9 m-85 -122.52 104.7 9.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -58.19 -12.9 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -50.25 142.48 9.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.81 -147.27 5.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -167.89 126.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 68.79 -170.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.6 mtp -44.89 -44.39 9.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -69.86 126.07 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -135.66 102.18 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -145.29 161.52 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 96.8 p -64.88 136.39 56.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -117.28 -31.23 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 14.9 m-85 65.43 -171.16 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.97 125.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.39 85.63 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ALA . 19.9 mt -69.81 105.29 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 83.5 m -90.8 99.84 12.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CE3' HD22 ' A' ' 127' ' ' LEU . 58.1 t-105 -81.36 144.96 31.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 90' ' ' GLY . 72.4 mt -151.42 101.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' CA ' HG22 ' A' ' 93' ' ' VAL . . . -36.11 133.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.43 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.07 -10.6 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.79 -22.55 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 97' ' ' GLN . 7.3 t -50.76 149.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.4 t -65.94 132.8 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.58 -39.47 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.08 -65.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.467 ' CB ' HG13 ' A' ' 93' ' ' VAL . 10.6 mm-40 -50.15 -35.65 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 6.5 tmm_? -74.95 -27.1 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.34 49.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -92.38 -41.8 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.5 m -51.84 -39.78 59.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.04 77.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.6 m -75.15 -36.88 61.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.77 -1.09 20.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.19 -35.49 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.3 m -54.09 -24.23 16.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -81.46 -49.48 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 66' ' ' PHE . 94.1 t -60.17 -34.41 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -64.28 -37.07 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.43 -28.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.4 t -98.22 -34.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 68' ' ' PHE . 44.2 t -102.35 99.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.93 -27.49 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 15.93 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -96.78 -166.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -91.67 -69.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 12.6 tttp -168.13 161.35 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 2.8 pt-20 -81.55 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -107.28 100.36 9.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.6 t -79.19 100.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.585 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 16.2 mt -112.3 140.16 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.492 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -116.88 -19.13 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -114.06 125.09 53.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -51.1 -38.12 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -50.87 -16.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 8.8 mt-10 -102.04 -19.96 14.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.585 ' CD2' ' CG2' ' A' ' 121' ' ' ILE . 2.2 mm? -66.12 -15.46 63.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 106.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.778 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -38.85 -35.9 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -67.09 -37.38 83.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.574 HG23 ' CZ ' ' A' ' 71' ' ' PHE . 27.6 mm -54.3 -47.83 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -58.2 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.2 t -40.99 -34.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -71.03 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 71' ' ' PHE . 68.8 mt -46.21 -34.43 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -43.35 -35.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -39.86 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.5 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.063 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 179.59 40.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -146.29 -54.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.01 106.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -99.2 -48.09 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -55.96 128.03 33.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -108.42 171.55 7.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.44 127.48 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -125.28 164.2 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.5 m -139.18 161.43 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -69.11 100.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -94.03 158.49 15.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.86 -133.05 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 69.33 0.42 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 16.14 22.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.5 m -78.44 158.97 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 11.47 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 68.32 -169.94 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 11' ' ' LYS . 66.3 m -134.89 142.48 46.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' N ' HG21 ' A' ' 10' ' ' THR . 7.7 mmmm -119.7 166.8 12.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 tt -140.81 144.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -83.01 44.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.6 mtpt -25.46 -43.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.2 mt-10 -58.23 -59.85 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.8 -31.61 70.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.74 -55.11 19.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 38.0 ttp180 -48.89 -32.33 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.34 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.73 -42.84 85.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.577 ' CD1' HG23 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -68.54 -15.72 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 22.7 m-20 -88.61 -36.39 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 1.5 mm? -58.69 -27.14 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG2' HG13 ' A' ' 31' ' ' VAL . 55.7 t -95.39 -29.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 11.8 ptt85 -75.01 -25.15 58.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.14 169.35 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' GLY . 2.6 t0 -62.43 98.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . 32.15 70.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -80.94 36.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.727 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.12 18.21 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 23' ' ' LEU . 2.6 p -154.48 141.61 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -123.13 -10.51 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.486 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.8 p-90 -145.6 143.17 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.523 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 30.7 m -142.3 122.48 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 p -93.89 153.0 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.523 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 82.1 m-85 -132.81 99.58 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.557 ' CE2' HG12 ' A' ' 43' ' ' ILE . 86.6 m-85 -94.01 146.39 23.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -116.14 15.14 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.17 -85.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.98 13.24 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 11' ' ' LYS . 29.9 m -155.38 147.75 23.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.557 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.2 mt -82.99 145.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.437 HG12 ' CG ' ' A' ' 13' ' ' ASP . 30.5 m -152.0 150.47 25.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.726 0.774 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.94 118.94 4.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.793 2.329 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.76 -90.69 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 172.79 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 5.1 tt0 -162.83 128.75 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 33' ' ' TRP . . . -175.32 163.74 33.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -21.27 23.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.705 0.288 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -81.04 108.99 15.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.85 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.4 t80 -55.96 -29.69 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -68.09 -20.25 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -80.78 -26.07 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -78.8 -41.17 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.56 -17.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -82.99 1.01 42.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -107.95 -28.32 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.3 m -80.45 117.81 21.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.436 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 16.0 p -134.94 171.23 14.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.0 1.95 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -120.03 19.82 12.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 65' ' ' LEU . 11.0 p -157.01 155.14 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -148.21 134.22 19.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.41 166.93 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 108' ' ' VAL . 4.7 m-85 -87.38 161.18 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.61 112.25 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 80.2 t80 -94.1 110.12 21.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.48 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 15.2 t -115.29 141.69 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -92.67 131.83 37.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CD1' HD11 ' A' ' 136' ' ' LEU . 40.2 m-85 -126.91 113.01 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 118.5 17.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.1 p -95.97 114.23 25.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -167.92 133.17 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 -66.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.97 -73.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.1 mtm -119.91 -12.32 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.425 ' C ' ' HD2' ' A' ' 79' ' ' LYS . 1.4 t -63.47 137.26 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 78' ' ' SER . 5.5 mptt -143.09 116.21 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -152.11 176.48 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.3 p -140.61 129.05 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 116' ' ' ALA . 14.5 mtpt -118.44 -21.88 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 8.5 m-85 58.98 -170.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.03 127.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 7.4 tp -84.92 90.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.0 mt -74.87 100.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.1 m -86.52 100.37 12.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 127' ' ' LEU . 57.5 t-105 -81.83 144.58 30.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 67.3 mt -150.97 99.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -32.77 129.68 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.81 -17.36 62.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -94.57 -18.78 21.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.459 ' CG1' ' CB ' ' A' ' 97' ' ' GLN . 17.7 t -51.08 145.15 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 95' ' ' GLY . 32.3 t -65.08 133.93 52.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.24 -39.01 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.0 tm? -56.93 -60.82 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.459 ' CB ' ' CG1' ' A' ' 93' ' ' VAL . 4.6 mm100 -57.19 -36.04 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.2 ttp85 -72.57 -33.39 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.53 -5.07 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.25 -44.89 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.1 m -52.06 -34.97 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.46 -36.43 77.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 m -70.22 -39.69 74.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -74.92 -4.33 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 2.9 ttpm? -62.45 -34.82 77.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.5 m -55.59 -23.15 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.3 mt -79.24 -48.14 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.603 HG22 ' CE1' ' A' ' 66' ' ' PHE . 39.5 t -64.11 -34.41 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -63.17 -32.91 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -48.94 -40.84 31.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 80.9 t -85.39 -40.3 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.577 HG23 ' CD1' ' A' ' 21' ' ' TYR . 87.9 t -96.8 96.07 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.98 -36.89 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.661 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.87 -170.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' LYS . . . -91.97 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.661 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.7 tttp -160.12 164.32 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.0 pm0 -88.05 121.93 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -98.71 101.45 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.3 t -80.21 100.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.47 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 10.6 mt -112.76 139.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.485 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 1.5 m -119.39 -15.28 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -118.49 127.79 53.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -52.57 -36.51 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.78 -16.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 mt-10 -103.65 -17.36 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 88' ' ' TRP . 3.5 mm? -67.75 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLU . 11.2 mt-10 -50.22 103.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 26.1 tt0 -36.09 -35.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.67 -48.84 69.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 23.9 t80 -66.92 -35.83 80.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 33.5 mm -59.43 -53.17 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -57.75 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.1 t -41.07 -41.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 139' ' ' ALA . 7.2 mm-40 -62.44 -63.04 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 71' ' ' PHE . 87.3 mt -41.48 -41.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -50.37 -41.35 51.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -115.58 5.06 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 135' ' ' GLU . . . -50.13 146.79 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.08 -151.34 9.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.437 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.42 171.15 45.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -102.29 125.47 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -85.07 130.66 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.31 161.01 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -150.67 137.57 19.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 147' ' ' GLN . . . -85.38 -45.57 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 146' ' ' ALA . 4.9 pt20 49.49 30.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.6 p -83.49 158.97 21.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -84.89 18.94 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -55.15 -60.65 3.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.07 112.59 3.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.76 124.43 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 101.3 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -146.01 145.5 30.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.0 mmm -40.82 -60.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.73 159.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -104.69 139.02 40.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -118.47 168.72 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 14.7 tt -136.07 139.86 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.8 m-20 -80.73 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.0 mtpp -25.34 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -53.3 -55.4 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -73.52 -33.04 64.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 27.0 m -61.3 -59.91 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.474 ' HD3' ' ND2' ' A' ' 22' ' ' ASN . 0.9 OUTLIER -47.82 -37.34 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 18' ' ' ARG . . . -58.34 -49.33 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -18.0 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' ND2' ' HD3' ' A' ' 18' ' ' ARG . 75.7 m-20 -91.06 -39.72 12.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 29' ' ' SER . 4.1 mm? -55.97 -19.57 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG23 ' CG1' ' A' ' 31' ' ' VAL . 2.9 t -103.47 -39.44 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.639 HH12 ' ND2' ' A' ' 114' ' ' ASN . 2.0 ttt85 -69.93 -29.77 67.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.05 151.66 47.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -95.18 18.89 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.32 -10.93 6.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 2.3 m -107.71 113.0 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.06 -19.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG1' HG23 ' A' ' 24' ' ' VAL . 15.5 t -52.97 131.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -120.67 -17.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 55.8 p-90 -137.39 146.77 44.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 24' ' ' VAL . 7.0 m -146.64 118.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 p -91.32 152.3 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.41 97.73 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -97.78 172.81 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.83 146.88 23.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -119.31 14.14 12.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.97 73.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.85 25.89 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -160.34 126.2 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.0 mt -73.56 132.66 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 13' ' ' ASP . 14.7 m -147.79 144.69 19.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.556 0.694 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.05 122.17 10.08 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.723 2.282 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.59 -102.0 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 173.31 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -167.01 137.15 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 174.88 169.14 36.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.45 -16.93 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.45 105.85 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.42 -28.49 44.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.68 -20.51 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -82.06 -26.6 33.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -78.74 -41.65 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.64 -17.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.0 mm-40 -85.12 2.6 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -110.3 -26.92 9.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 62.3 m -81.56 113.25 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.412 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 4.1 p -128.12 179.42 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.98 2.01 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -119.49 19.29 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 65' ' ' LEU . 13.8 p -154.65 158.4 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -151.75 128.2 10.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -164.2 162.87 22.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG22 ' A' ' 108' ' ' VAL . 19.4 m-85 -79.43 160.56 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.82 103.29 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 70.4 t80 -90.34 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 70' ' ' ARG . 96.7 t -114.26 143.36 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 25.9 ttt-85 -94.24 129.1 41.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD2' HD11 ' A' ' 136' ' ' LEU . 37.3 m-85 -125.68 103.39 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.409 HG21 ' NH2' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -56.26 105.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 t -160.15 99.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.78 137.22 8.71 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 76' ' ' ALA . 8.4 t0 -165.95 179.96 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.652 ' C ' ' O ' ' A' ' 75' ' ' ASP . . . 10.92 -83.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -99.55 -32.65 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.4 m -59.08 154.14 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 80' ' ' ARG . 28.0 mtmt -106.6 158.95 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -33.53 -55.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.7 m -124.74 135.13 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 116' ' ' ALA . 25.5 mmmt -111.66 -28.85 7.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 10.1 m-85 57.94 -170.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.01 127.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 9.9 tp -85.78 87.35 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mt -72.32 104.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 119' ' ' PHE . 17.8 m -88.02 99.99 12.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 127' ' ' LEU . 57.6 t-105 -79.83 144.33 33.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 68.1 mt -151.4 100.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -32.59 134.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.59 -9.55 58.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.49 -21.5 14.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 t -50.54 148.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 33.1 t -70.07 131.74 44.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -32.35 -39.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 96' ' ' LEU . 1.6 tm? -52.59 -62.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -59.02 -35.38 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 89' ' ' ILE . 36.8 ttt180 -73.38 -26.52 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -89.77 -8.47 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 -43.58 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -50.42 -36.35 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.75 -33.57 76.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.3 m -73.77 -40.15 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.05 -3.3 9.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' CD ' ' CD ' ' A' ' 118' ' ' GLU . 5.2 ttpp -66.3 -32.41 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -54.32 -23.79 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -84.96 -53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG22 ' CD1' ' A' ' 66' ' ' PHE . 99.7 t -56.96 -34.14 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -65.2 -32.56 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.02 -41.08 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 90.3 t -84.87 -42.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 68' ' ' PHE . 98.5 t -93.34 98.41 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -124.72 -31.12 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.639 ' ND2' HH12 ' A' ' 25' ' ' ARG . 37.7 t30 -69.83 -25.75 63.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.83 -170.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 82' ' ' LYS . . . -95.38 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 7.3 tttm -161.52 161.19 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 9.4 pt-20 -84.69 133.33 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.4 m-30 -107.66 100.02 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.14 100.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.504 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 23.5 mt -114.35 142.58 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.455 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.64 -16.78 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -117.25 126.45 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -51.44 -36.9 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -16.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.2 mt-10 -102.98 -18.64 14.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.569 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.5 mm? -66.92 -14.27 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.33 106.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 10.3 pm0 -39.88 -31.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 25.6 m-20 -58.13 -45.12 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.32 -37.21 80.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.37 -50.75 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -59.44 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 t -39.13 -38.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.15 -59.52 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 71' ' ' PHE . 97.1 mt -48.74 -42.07 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -50.29 -42.84 53.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 139' ' ' ALA . 34.7 pttt -106.5 19.76 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -34.06 -50.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.9 -159.21 9.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 150.11 144.57 3.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -164.15 117.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -108.89 129.48 55.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.04 -7.1 17.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.89 168.9 18.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -158.27 119.81 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.6 m 61.73 -169.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -116.22 19.85 14.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.26 103.02 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.93 118.85 6.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.58 161.11 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.323 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.59 99.98 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.6 p -147.08 135.37 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tpt -78.46 -43.86 26.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.79 121.17 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.3 m -99.74 146.08 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -124.98 166.28 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.3 tt -128.97 145.54 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.6 t0 -78.69 44.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.1 mttt -22.94 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -55.93 -57.69 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.97 -37.64 78.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 53.3 m -59.79 -59.58 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 17.6 ttp180 -44.75 -40.92 6.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.64 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 34' ' ' VAL . . . -64.23 -45.28 88.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.576 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.9 t80 -62.19 -20.79 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 72.8 m-20 -90.94 -43.15 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 29' ' ' SER . 3.5 mm? -53.71 -18.63 3.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG22 ' CG1' ' A' ' 31' ' ' VAL . 55.1 t -105.7 -39.76 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -32.62 72.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -66.42 136.95 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -82.61 17.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.76 -6.26 10.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.8 m -108.64 110.7 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' O ' ' HB1' ' A' ' 50' ' ' ALA . . . -39.36 -32.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' HG22 ' A' ' 24' ' ' VAL . 2.9 t -45.98 130.45 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 30' ' ' ALA . 5.0 pt -119.72 -12.48 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.488 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.6 p-90 -145.61 161.83 38.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 8.2 p -160.94 138.99 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.006 0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p -110.84 151.94 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 55.1 m-85 -130.42 96.88 4.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -99.25 171.86 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 43' ' ' ILE . 66.4 m-85 -93.48 149.16 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 4.6 t0 -119.44 14.3 12.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.84 74.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.81 23.35 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -159.7 125.26 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.3 mt -68.11 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' N ' HG23 ' A' ' 43' ' ' ILE . 34.2 m -155.75 141.39 12.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.05 113.47 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.32 -108.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -84.13 171.39 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 1.4 tt0 -172.26 139.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.14 -177.24 47.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 30' ' ' ALA . . . -103.78 4.23 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.9 t70 -107.97 100.29 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -51.33 -29.45 15.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -67.96 -31.99 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -68.89 -36.05 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -66.02 -40.2 90.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.58 -18.4 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -80.47 -1.67 42.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -106.6 -33.31 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -76.22 113.7 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.4 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.1 p -131.9 178.18 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -78.61 5.76 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -121.59 19.92 11.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 65' ' ' LEU . 13.2 p -157.99 155.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -147.83 133.31 18.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.94 172.98 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 108' ' ' VAL . 8.4 m-85 -88.24 158.78 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB1' ' CE1' ' A' ' 55' ' ' PHE . . . -145.44 107.57 4.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 58.1 t80 -94.67 108.18 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.555 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 46.6 t -113.03 144.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' N ' HG13 ' A' ' 69' ' ' VAL . 38.3 ttt180 -94.25 119.46 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 16.2 m-85 -113.42 117.68 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.17 100.92 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 t -127.36 113.11 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.98 95.1 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 -45.04 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.05 175.24 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ptp -52.63 -33.31 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 m -69.64 135.54 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -127.3 119.36 26.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -165.81 119.97 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -62.35 155.71 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -110.57 -26.4 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 18.6 m-85 66.15 -174.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -178.56 131.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tp -88.93 86.53 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.47 105.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' PHE . 54.2 m -86.71 100.06 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.59 ' CZ3' HD23 ' A' ' 127' ' ' LEU . 57.9 t-105 -81.83 141.2 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.467 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 65.3 mt -147.19 99.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -32.83 131.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -75.08 5.06 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.08 -23.9 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.2 144.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLY . 9.1 t -68.26 144.37 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.06 -59.75 0.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.451 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.5 tt -33.74 -62.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -47.25 -46.96 24.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -67.57 -31.8 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.93 -16.51 56.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -33.85 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -63.61 -34.81 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.08 -38.47 34.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -69.86 -29.02 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -87.38 5.77 37.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 8.3 m -59.04 -22.51 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.2 mp -78.57 -49.58 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.577 HG21 ' CE1' ' A' ' 66' ' ' PHE . 25.0 t -60.55 -33.52 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -64.79 -36.24 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 106' ' ' THR . 40.3 mm-40 -46.71 -41.91 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 73.6 t -87.02 -37.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 21' ' ' TYR . 71.3 t -99.14 98.03 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -124.0 -32.45 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 10.5 t-20 -66.73 -27.05 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.89 -171.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.17 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.586 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.3 tttt -161.82 163.89 29.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pt-20 -85.14 129.16 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -104.65 99.97 9.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 120' ' ' VAL . 12.3 p -79.07 101.18 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 6.0 mt -118.57 141.42 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.495 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -119.7 -16.01 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.51 124.06 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -51.33 -35.79 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.407 ' NZ ' ' OE2' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -51.82 -16.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.0 mt-10 -102.69 -19.28 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.59 HD23 ' CZ3' ' A' ' 88' ' ' TRP . 4.3 mm? -64.88 -15.42 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.407 ' OE2' ' NZ ' ' A' ' 125' ' ' LYS . 8.9 mt-10 -50.09 104.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 133' ' ' ARG . 31.9 tt0 -39.4 -34.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.47 -45.45 73.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.52 -37.2 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.549 HG23 ' CZ ' ' A' ' 71' ' ' PHE . 35.7 mm -58.73 -47.04 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.443 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -52.0 -60.69 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.803 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -38.5 -38.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.75 -58.19 5.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 71' ' ' PHE . 55.4 mt -57.16 -40.24 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -43.52 -41.77 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -102.3 -23.5 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.467 ' N ' ' HD2' ' A' ' 138' ' ' LYS . . . 42.65 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 87.34 156.25 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.423 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 179.31 -101.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 67.64 46.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -86.31 -44.22 12.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.6 45.37 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.13 -42.74 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.13 104.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -137.6 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.0 p -142.04 145.57 34.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m 59.73 44.43 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -82.14 -59.55 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.67 88.92 1.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.12 -56.72 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.7 115.48 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 8' ' ' MET . 5.8 t -104.33 138.29 40.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 7' ' ' THR . 9.1 mtp -165.83 142.0 5.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.12 -169.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.472 ' CB ' ' OD1' ' A' ' 104' ' ' ASP . 82.5 m -129.61 142.53 50.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.42 171.45 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 11.7 tt -132.53 156.81 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.0 t0 -91.61 44.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.5 mtmt -22.37 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.8 mt-10 -55.55 -59.36 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.33 -37.78 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 47.9 m -59.11 -51.32 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttp180 -50.07 -36.41 29.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.65 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.18 86.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.87 -22.76 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 81.6 m-20 -88.26 -48.91 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD11 ' NE2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -46.14 -21.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 68' ' ' PHE . 2.6 p -102.95 -39.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.09 176.02 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -109.49 -30.32 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.72 -17.36 71.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 3.1 m -99.81 103.39 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.18 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' SER . 85.7 t -54.17 129.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 pt -119.98 -18.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.413 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 45.2 p-90 -136.7 148.74 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.404 HG21 ' CE1' ' A' ' 36' ' ' PHE . 27.1 m -149.67 126.86 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p -97.47 155.54 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE1' HG21 ' A' ' 34' ' ' VAL . 16.7 m-85 -135.12 97.78 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -98.34 -179.83 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.576 ' CE2' HG12 ' A' ' 43' ' ' ILE . 70.1 m-85 -103.77 149.48 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -122.93 14.66 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.32 70.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 70.0 24.16 5.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -154.58 122.6 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG12 ' CE2' ' A' ' 38' ' ' TYR . 25.3 mt -74.17 134.87 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 43' ' ' ILE . 27.3 m -148.1 143.29 17.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 111.065 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 116.33 2.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.49 -110.98 0.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.48 174.08 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 23' ' ' LEU . 11.4 tt0 -170.35 141.92 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.64 176.12 39.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 -17.73 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 106.11 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 3.4 t80 -54.91 -26.66 37.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -80.3 -27.26 38.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -77.02 -43.67 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.02 -17.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -84.92 2.23 43.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.69 -30.64 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.2 m -78.5 114.58 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.436 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 24.8 p -130.21 172.23 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' CB ' ' OE2' ' A' ' 91' ' ' GLU . 2.8 p30 -75.35 2.85 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.11 18.64 12.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 65' ' ' LEU . 8.6 p -156.01 151.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -143.34 133.74 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.76 170.02 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CD1' HG23 ' A' ' 108' ' ' VAL . 10.7 m-85 -84.22 156.38 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 55' ' ' PHE . . . -143.38 100.1 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.483 ' CD1' HG13 ' A' ' 24' ' ' VAL . 7.5 t80 -87.26 117.46 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 70' ' ' ARG . 65.2 t -123.92 142.68 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' N ' HG13 ' A' ' 69' ' ' VAL . 6.3 ttp85 -92.6 131.5 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -124.72 109.47 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.423 HG22 ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -86.21 100.22 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 82' ' ' LYS . 8.0 t -120.0 -30.56 4.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' N ' HG23 ' A' ' 73' ' ' THR . . . -40.94 -64.59 1.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 54.38 39.84 31.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.03 176.66 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.9 mtp -59.85 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.35 -66.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HE2' ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -71.14 111.65 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.904 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -98.93 -70.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -148.44 159.51 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 73' ' ' THR . 33.4 mttm -123.43 -178.05 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-85 -153.77 178.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.66 131.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.73 93.12 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.99 100.11 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' PHE . 30.5 m -81.16 100.11 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CZ3' HD23 ' A' ' 127' ' ' LEU . 59.9 t-105 -84.18 141.0 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.485 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 69.1 mt -148.15 99.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -35.26 127.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.462 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 7.4 pm0 -68.99 -2.28 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -107.85 -25.71 11.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -50.53 147.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 4.1 m -62.56 130.79 46.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.22 -48.44 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -38.04 -65.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -45.45 -42.88 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -30.2 70.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.49 -19.31 56.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' THR . 22.0 mmmt -98.05 -58.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' LYS . 44.0 m -36.15 -40.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.3 -37.61 63.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.9 m -71.61 -36.79 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 10' ' ' THR . 8.5 m-20 -74.41 -4.79 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -60.97 -37.2 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 m -53.7 -25.0 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.1 mt -77.71 -49.92 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.57 HG23 ' CD1' ' A' ' 66' ' ' PHE . 63.7 t -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -67.52 -40.6 85.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' LYS . 2.2 mm-40 -38.27 -40.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.29 -28.88 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 109' ' ' LYS . 74.5 t -102.08 99.63 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -123.13 -36.8 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 115' ' ' PHE . 2.4 m120 -63.29 -29.14 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.44 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.79 -66.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 22.9 tttt -161.35 163.22 30.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.4 pt-20 -83.37 135.1 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -109.35 100.01 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.77 100.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.494 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 16.4 mt -114.25 142.31 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.432 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -118.51 -17.22 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.95 125.53 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -51.68 -36.68 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -51.88 -16.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 13.9 mt-10 -103.38 -18.09 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.573 HD23 ' CZ3' ' A' ' 88' ' ' TRP . 3.3 mm? -67.11 -13.75 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.08 105.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 31.4 tt0 -39.63 -33.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -57.41 -44.65 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -67.17 -37.1 83.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.32 -50.26 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.475 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.3 OUTLIER -50.16 -58.7 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -39.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -66.72 -59.81 3.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.8 mt -52.26 -37.24 54.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -53.22 -40.71 64.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -114.41 16.61 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -33.25 -55.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 100.29 -132.96 11.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.554 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 68.91 -122.05 12.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -112.83 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -165.72 123.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -55.57 117.38 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -137.16 135.13 37.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -113.24 101.95 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -104.91 172.37 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.2 p -142.36 132.48 24.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 50.61 42.04 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.29 -58.54 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.5 -68.04 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 165.26 21.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.35 119.7 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.5 p -115.72 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 tpt -102.61 140.9 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.95 168.42 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 11' ' ' LYS . 14.7 m -159.63 144.21 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' N ' HG21 ' A' ' 10' ' ' THR . 13.6 mtpt -136.5 179.97 6.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.1 tt -142.72 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.566 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.1 m-20 -85.17 43.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 13' ' ' ASP . 31.8 mtpt -23.19 -46.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.5 mt-10 -56.86 -60.26 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.85 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -63.7 -53.67 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.493 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 12.0 tpp180 -46.25 -39.09 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . -62.39 -50.39 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.07 98.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.435 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -67.0 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.493 ' ND2' ' HG3' ' A' ' 18' ' ' ARG . 69.9 m-20 -92.47 -45.04 8.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.786 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 19' ' ' ALA . 4.3 mm? -50.9 -16.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' A' ' 68' ' ' PHE . 3.4 p -109.68 -38.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -67.01 -32.61 73.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.55 171.65 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -115.63 18.05 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.23 -0.19 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.7 m -107.09 104.85 14.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -35.82 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' SER . 77.8 t -54.53 129.96 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.92 -18.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 45.0 p-90 -135.97 145.58 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 18.5 m -145.13 124.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -96.02 154.12 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.09 95.95 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -95.93 174.47 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 43' ' ' ILE . 80.9 m-85 -99.22 145.56 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -119.96 14.15 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.97 71.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 68.89 23.99 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -153.85 114.15 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.558 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.4 mt -68.78 126.41 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.428 HG11 ' CG ' ' A' ' 13' ' ' ASP . 33.1 m -139.97 149.18 57.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.07 114.32 1.58 Allowed 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.761 2.307 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.21 -102.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.93 166.7 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -160.65 140.23 10.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.12 41.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.21 -25.7 15.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -79.85 105.41 11.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 129' ' ' GLU . 5.5 t80 -54.77 -27.55 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -66.84 -20.3 65.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -81.72 -26.39 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.455 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.57 -41.04 40.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.83 -17.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -84.12 3.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -110.93 -23.76 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 59.4 m -84.3 117.32 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.401 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 10.8 p -128.42 179.59 5.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.06 4.2 31.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.06 18.64 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.401 ' CG1' ' H ' ' A' ' 60' ' ' THR . 11.2 p -151.78 160.61 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.478 ' C ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -151.15 139.85 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -175.56 156.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CD1' HG21 ' A' ' 108' ' ' VAL . 33.2 m-85 -75.55 161.07 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.13 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CE1' ' CD2' ' A' ' 83' ' ' PHE . 18.1 t80 -95.02 106.55 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 53.4 t -112.96 143.85 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.434 ' N ' HG12 ' A' ' 69' ' ' VAL . 22.6 ttt180 -90.79 123.87 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 4.9 m-85 -117.85 132.34 56.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.8 p -88.49 15.47 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.591 ' N ' HH21 ' A' ' 133' ' ' ARG . 9.0 t -45.89 -45.07 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 73' ' ' THR . . . 34.45 83.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.531 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.9 t0 -35.93 -42.36 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.79 178.91 4.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -43.62 -56.87 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -53.95 112.58 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -98.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.5 m -129.23 124.01 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -106.44 -28.62 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.547 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 20.1 m-85 67.4 -175.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -177.68 131.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.68 90.08 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.2 mt -75.42 102.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.5 m -85.24 99.98 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CE3' HD22 ' A' ' 127' ' ' LEU . 58.5 t-105 -77.83 144.28 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.473 HG22 ' NH2' ' A' ' 64' ' ' ARG . 67.8 mt -150.18 100.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.53 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.74 -24.55 17.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.92 -9.74 57.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.406 ' CB ' HH21 ' A' ' 64' ' ' ARG . 4.1 t -62.32 163.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 22.8 t -84.68 135.38 34.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.53 -38.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.49 ' CD2' ' C ' ' A' ' 96' ' ' LEU . 1.4 tt -55.0 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' C ' HH12 ' A' ' 64' ' ' ARG . 25.5 mm-40 -48.7 -46.19 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 24.0 ttt180 -60.48 -27.5 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.45 -2.38 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -100.04 -48.54 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -48.97 -33.17 10.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.15 69.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.6 m -77.77 -40.74 39.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -70.06 -9.55 55.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -61.24 -27.78 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.1 m -64.4 -19.21 65.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.1 mt -88.12 -50.47 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.576 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.3 t -61.97 -34.1 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -66.14 -29.92 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -46.83 -45.46 20.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.72 -41.47 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 115' ' ' PHE . 97.7 t -93.52 97.37 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -124.12 -31.87 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 66.8 t30 -71.53 -23.71 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.81 -170.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 82' ' ' LYS . . . -92.53 -68.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 35.2 tttt -162.78 162.1 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 pt-20 -83.21 133.95 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.507 ' CE2' HG23 ' A' ' 132' ' ' ILE . 3.4 m-30 -108.79 100.0 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.7 100.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.544 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 15.4 mt -116.25 142.26 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.516 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 47.5 t -119.03 -16.21 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -115.72 126.61 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.5 mtm105 -52.19 -37.2 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -53.24 -15.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.5 mt-10 -103.07 -16.33 15.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.577 HD22 ' CE3' ' A' ' 88' ' ' TRP . 3.1 mm? -69.66 -12.27 61.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' PHE . 12.0 mt-10 -50.09 103.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 4.1 tm-20 -36.64 -40.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.38 -45.64 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' GLU . 36.5 t80 -63.28 -36.16 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.562 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 22.4 mm -61.56 -43.71 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.591 HH21 ' N ' ' A' ' 73' ' ' THR . 35.4 mmm-85 -52.4 -59.58 4.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 t -40.81 -43.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.23 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 71' ' ' PHE . 62.2 mt -40.84 -44.39 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.69 -41.9 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.67 19.47 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.35 123.86 9.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.32 63.24 0.59 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -145.84 50.37 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -119.58 177.4 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.57 155.14 45.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.85 120.72 8.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -150.05 112.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.93 -170.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -96.66 -43.44 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 149' ' ' GLU . 83.2 p -53.39 175.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 148' ' ' SER . 3.5 pt-20 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -77.9 100.0 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 61.85 41.79 11.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.93 104.8 2.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 164.68 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -124.07 140.04 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -107.96 125.24 51.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 44.57 -169.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.41 HG22 ' CG ' ' A' ' 104' ' ' ASP . 26.0 m -160.59 151.83 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' C ' HD21 ' A' ' 107' ' ' LEU . 5.1 mmmm -134.28 173.43 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.0 tt -131.6 147.89 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.8 m-20 -80.94 46.72 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 13' ' ' ASP . 8.8 mttp -22.77 -45.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.3 mt-10 -59.69 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.45 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 34.6 m -67.57 -58.08 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttm180 -38.62 -41.21 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.787 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.75 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.7 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.3 -22.03 66.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.477 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.7 m-20 -90.31 -48.13 7.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' SER . 3.0 mm? -45.47 -20.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' A' ' 68' ' ' PHE . 3.1 p -106.3 -38.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -29.11 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.17 137.3 45.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -84.19 19.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.94 1.1 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 4.8 m -111.47 106.07 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -35.49 -34.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' SER . 85.7 t -50.52 129.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -119.72 -18.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 49.6 p-90 -135.7 143.88 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 28.6 m -143.39 120.11 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 p -91.35 155.72 18.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CZ ' HG22 ' A' ' 34' ' ' VAL . 71.8 m-85 -133.84 99.86 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.12 178.65 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -95.39 146.44 24.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 14.6 t70 -118.52 16.02 13.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.25 -86.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.77 19.68 12.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -158.96 149.55 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -81.06 137.63 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 39' ' ' ASP . 10.3 m -147.18 150.71 38.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.1 134.72 50.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.46 -80.13 1.5 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.14 176.12 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 4.9 mt-30 -155.61 161.15 40.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.18 167.09 20.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.04 -20.04 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 12.9 m-20 -81.36 102.79 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 6.6 t80 -54.19 -28.94 43.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.8 mm-40 -66.39 -34.36 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 8.2 m170 -65.55 -32.53 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CE1' ' CB ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -66.05 -41.21 91.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.17 -20.94 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.561 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 1.3 mp0 -77.94 0.95 22.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -108.02 -31.21 8.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.3 m -77.76 117.26 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.422 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 34.4 p -132.53 169.97 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.92 18.68 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.498 HG23 ' CD1' ' A' ' 65' ' ' LEU . 7.6 p -157.63 150.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -143.71 131.94 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.58 11.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 108' ' ' VAL . 14.2 m-85 -85.57 156.35 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.522 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.36 100.48 3.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.4 t80 -88.8 116.67 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.579 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 86.5 t -120.26 148.36 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.589 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 53.3 ttt180 -87.5 125.2 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.579 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 70.4 m-85 -128.75 100.08 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.1 t -83.75 145.12 28.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.444 ' CG2' ' HD2' ' A' ' 82' ' ' LYS . 1.6 t -170.91 126.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 -102.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.59 20.16 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.18 176.52 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.9 mmm -51.34 114.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.89 -169.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.55 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -163.72 153.64 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.545 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 54.3 m -87.67 147.9 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HD2' ' CG2' ' A' ' 73' ' ' THR . 69.9 mttt -114.3 -30.37 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-85 57.32 -173.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.71 131.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' A' ' 108' ' ' VAL . 10.5 tp -84.72 91.79 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 67' ' ' ALA . 38.5 mt -76.11 103.52 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 119' ' ' PHE . 2.9 m -86.87 103.04 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CE3' HD23 ' A' ' 127' ' ' LEU . 53.9 t-105 -83.15 143.85 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 72.4 mt -149.76 100.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.84 129.91 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -72.66 2.68 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.09 -24.05 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.17 146.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 95' ' ' GLY . 19.9 m -66.03 141.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.48 -50.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 tt -42.6 -66.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.46 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 8.8 mt-30 -40.22 -46.65 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.23 89.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.52 -14.25 62.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 -41.79 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -60.01 -37.1 78.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.84 47.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -70.48 -32.57 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' CG ' HG22 ' A' ' 10' ' ' THR . 44.1 m-20 -84.47 9.81 12.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 m -58.19 -22.31 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.4 mp -78.13 -50.32 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 66' ' ' PHE . 39.4 t -59.67 -33.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.481 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -65.38 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -48.46 -54.47 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 112' ' ' VAL . 11.0 p -75.32 -29.76 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 111' ' ' VAL . 29.1 t -103.39 99.95 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -121.96 -38.3 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.21 -26.71 66.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -54.32 -172.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.07 -65.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.557 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 51.4 tttt -160.09 162.1 34.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -88.55 124.41 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.0 m-30 -100.29 100.32 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.14 101.01 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 17.6 mt -109.92 147.4 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -21.14 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -114.5 127.12 55.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -52.63 -36.7 57.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.89 -15.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.06 -19.36 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.576 HD23 ' CE3' ' A' ' 88' ' ' TRP . 2.9 mm? -65.42 -14.08 60.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' GLU . 9.4 mt-10 -50.02 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 12.7 tt0 -36.13 -36.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.81 -48.66 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 29.7 t80 -65.87 -36.16 82.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.507 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 28.9 mm -58.55 -50.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.457 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.5 OUTLIER -52.94 -57.75 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -41.35 -40.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.18 -59.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.552 ' CD1' ' CB ' ' A' ' 71' ' ' PHE . 88.5 mt -48.38 -39.04 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -57.48 -37.72 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.41 19.91 17.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.87 154.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.56 145.26 49.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.33 76.17 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.89 156.66 44.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.781 0.324 . . . . 0.0 111.065 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -73.73 153.51 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -127.22 171.39 11.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -80.66 -43.91 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.79 108.59 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -116.41 -39.77 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 57.4 m -135.95 130.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p 50.76 31.46 5.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.68 -44.65 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.59 172.41 13.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.82 131.04 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.72 107.91 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.2 m -82.49 -47.5 12.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 tpt -45.05 -52.55 8.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.84 155.48 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 11' ' ' LYS . 32.8 m -123.58 155.41 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 10' ' ' THR . 22.5 mmmt -125.81 178.55 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 15.3 tt -150.04 149.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -92.68 46.79 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 13' ' ' ASP . 25.5 mtmt -21.1 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 pt-20 -52.25 -59.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.47 -34.83 78.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.9 m -60.81 -62.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -41.68 -40.78 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.84 -51.24 70.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.9 91.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.4 t80 -64.44 -16.29 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -94.35 -41.64 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.5 mm? -53.15 -14.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.44 HG11 ' CE1' ' A' ' 68' ' ' PHE . 4.2 p -110.64 -38.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -29.56 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.55 153.81 40.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.81 -69.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.99 76.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.47 20.02 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.709 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.422 ' C ' HG21 ' A' ' 31' ' ' VAL . . . 70.16 25.83 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG21 ' C ' ' A' ' 30' ' ' ALA . 84.6 t -153.32 132.96 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 9.9 pt -117.45 -11.48 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.4 p-90 -144.48 141.66 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 48' ' ' GLN . 29.7 m -142.29 130.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.228 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.4 p -99.63 154.3 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -128.67 94.02 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -99.02 177.33 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -97.3 141.7 30.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 8.8 t0 -119.67 14.64 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 65.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.79 11.95 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -140.97 130.14 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 44' ' ' VAL . 42.4 mt -67.96 140.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' N ' HG23 ' A' ' 43' ' ' ILE . 13.7 m -155.81 145.54 15.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.68 0.752 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.98 108.62 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -67.59 -100.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 174.92 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 6.4 mt-30 -154.61 163.91 39.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.98 161.1 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . . . -87.51 -19.87 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 16.3 t0 -80.46 100.25 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CD2' HG11 ' A' ' 69' ' ' VAL . 8.6 t80 -53.51 -27.74 27.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.7 mm-40 -67.26 -34.26 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.413 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 7.4 m170 -65.96 -33.73 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.523 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -65.41 -41.33 93.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.76 -20.21 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 2.1 mp0 -80.3 5.83 13.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -115.95 -30.61 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 37.3 m -79.09 104.88 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.417 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 31.0 p -119.39 177.62 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -78.92 4.48 14.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -120.28 20.56 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.484 HG22 ' CD1' ' A' ' 65' ' ' LEU . 14.9 p -156.85 154.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -145.74 133.93 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -172.67 165.57 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CD1' HG23 ' A' ' 108' ' ' VAL . 29.2 m-85 -79.55 157.44 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.88 100.09 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 112' ' ' VAL . 13.4 t80 -90.75 118.0 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 52' ' ' TYR . 21.9 t -124.05 141.62 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 38.9 ttt-85 -94.91 117.82 30.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 5.3 m-85 -107.5 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.4 p -125.42 121.3 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -118.95 -34.34 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.6 76.88 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -119.63 15.95 12.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.82 -68.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.0 mtp -100.07 -73.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.0 p -104.93 152.23 22.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.791 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -78.67 105.12 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.61 117.62 23.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -97.39 144.15 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.489 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -116.92 175.31 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.497 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 4.9 m-85 -154.03 171.0 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.3 125.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 66' ' ' PHE . 13.2 tp -78.54 93.06 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.1 mt -73.05 100.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' PHE . 64.0 m -81.84 101.69 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CE3' HD23 ' A' ' 127' ' ' LEU . 62.7 t-105 -86.16 138.58 31.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 59.9 mt -147.08 97.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.191 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.486 ' O ' ' CG2' ' A' ' 93' ' ' VAL . . . -32.01 120.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.14 -4.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.345 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.26 -15.36 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 90' ' ' GLY . 26.2 m -54.42 153.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 6.7 t -70.13 135.49 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.01 -54.75 0.7 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -37.62 -60.74 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 5.1 mt-30 -44.55 -49.2 10.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -66.36 -33.16 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.86 63.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -34.5 10.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.445 ' O ' ' OD1' ' A' ' 104' ' ' ASP . 45.0 m -74.56 -24.9 59.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.19 -16.52 78.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 m -104.91 -31.57 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 101' ' ' THR . 1.2 p-10 -67.43 -16.06 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 15.4 ttmt -54.14 -31.63 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 21.6 m -64.45 -17.14 63.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.6 -44.97 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.574 HG23 ' CD1' ' A' ' 66' ' ' PHE . 65.2 t -66.94 -37.9 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 109' ' ' LYS . 2.4 ttpm? -62.76 -34.09 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.466 ' CD ' ' O ' ' A' ' 106' ' ' THR . 3.2 mm-40 -43.47 -47.28 7.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.33 -49.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.522 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 1.1 p -97.24 101.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -28.24 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.88 -25.54 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.8 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.15 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 2.6 ttmt -162.38 165.1 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.2 pm0 -92.44 128.11 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 m-30 -101.56 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.07 100.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 28.6 mt -111.38 144.93 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.48 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.95 -19.2 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.01 126.06 53.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -50.85 -36.74 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -49.96 -18.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.9 mt-10 -102.5 -19.52 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.579 HD23 ' CE3' ' A' ' 88' ' ' TRP . 3.2 mm? -66.21 -15.8 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' ASP . 6.1 mt-10 -49.95 104.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 16.7 tt0 -36.03 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 44.1 m-20 -56.71 -48.85 76.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 126' ' ' GLU . 52.4 t80 -66.45 -36.06 81.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.485 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 37.8 mm -54.01 -49.49 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.56 -53.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.7 t -45.08 -40.4 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.457 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 9.3 mm-40 -63.4 -59.02 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 80.9 mt -46.53 -35.76 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -48.18 -38.09 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 139' ' ' ALA . 2.7 pttm -111.91 14.75 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -33.13 -57.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . 97.62 178.98 33.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' GLY . . . 37.79 -110.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 54.39 39.13 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -159.01 136.87 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -166.09 104.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 t0 51.48 -170.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.12 166.23 10.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -94.09 102.99 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 89.3 p -79.68 -43.05 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 p 41.57 27.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 167.09 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.73 -53.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 69.34 -170.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.26 161.57 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -95.01 19.98 9.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.0 tpp -82.67 -51.08 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.67 171.89 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.419 HG22 ' CG ' ' A' ' 104' ' ' ASP . 30.6 m -140.54 151.81 45.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.176 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' CB ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -128.41 167.23 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.895 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 11.7 tt -135.22 146.24 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -81.77 45.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.6 mtpp -23.86 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.1 mt-10 -57.59 -59.59 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.3 -54.2 36.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 36.1 ttp180 -45.69 -36.66 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.41 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.12 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -60.73 -19.72 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 68.3 m-20 -91.77 -44.54 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 29' ' ' SER . 3.9 mm? -49.07 -18.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.95 -34.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.07 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.89 171.33 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.51 19.72 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.95 -0.18 4.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 2.8 m -106.51 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 110.809 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' ALA . . . -46.72 -19.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.79 127.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 50' ' ' ALA . 7.9 pt -119.96 -12.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 45.7 p-90 -142.76 140.93 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG1' ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -142.64 128.99 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -98.79 154.7 17.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 72.3 m-85 -132.95 97.35 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -98.15 172.89 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE2' HG12 ' A' ' 43' ' ' ILE . 75.5 m-85 -94.07 141.77 28.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 35.4 t0 -109.82 13.37 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.94 11.99 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 11' ' ' LYS . 6.0 m -152.22 142.51 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.506 HG12 ' CE2' ' A' ' 38' ' ' TYR . 18.8 mt -70.82 146.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 39' ' ' ASP . 16.8 m -154.4 143.33 14.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.04 123.05 11.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.15 -96.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD2' ' CD ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -92.92 179.79 5.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 9.5 tt0 -169.51 136.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.88 172.36 40.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 30' ' ' ALA . . . -95.78 -25.04 16.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.87 105.68 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 129' ' ' GLU . 7.2 t80 -53.97 -28.85 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.22 -20.62 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -82.24 -26.45 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.7 OUTLIER -77.93 -43.94 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.23 -17.82 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -84.93 2.6 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CD ' ' OD2' ' A' ' 47' ' ' ASP . 10.9 mm-40 -108.5 -33.48 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.5 m -76.53 115.57 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.4 p -132.96 174.45 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' HA ' ' CA ' ' A' ' 90' ' ' GLY . 0.7 OUTLIER -75.43 5.11 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -121.07 19.46 11.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 65' ' ' LEU . 11.6 p -157.82 151.74 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -144.93 124.1 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.658 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.66 171.53 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 108' ' ' VAL . 6.3 m-85 -89.38 163.49 15.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.45 111.61 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 83' ' ' PHE . 18.5 t80 -92.44 104.41 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 44.2 t -108.74 142.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 17.7 ttt180 -94.22 119.08 32.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CD1' HD12 ' A' ' 136' ' ' LEU . 3.2 m-85 -112.33 137.07 51.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 0.7 OUTLIER -126.53 105.22 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.534 ' CG2' ' HE3' ' A' ' 82' ' ' LYS . 1.4 t -123.27 144.23 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -161.73 119.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.01 -55.8 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.71 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.1 tpp 50.0 42.08 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.1 t -151.5 107.69 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 101.16 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 81' ' ' SER . 32.1 ttt180 -154.33 150.0 27.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.57 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 25.2 p -81.19 130.13 34.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' HE3' ' CG2' ' A' ' 73' ' ' THR . 0.4 OUTLIER -109.92 -40.38 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 81' ' ' SER . 28.4 m-85 66.88 -177.31 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.88 134.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD23 ' CG1' ' A' ' 108' ' ' VAL . 9.7 tp -85.91 94.51 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 121' ' ' ILE . 19.9 mt -78.13 102.74 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -86.87 99.94 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 127' ' ' LEU . 60.4 t-105 -82.88 144.07 30.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 86.0 mt -151.19 99.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -33.83 133.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.32 8.45 4.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -114.45 -27.56 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.8 m -51.2 145.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.3 t -67.25 145.99 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.13 -50.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD23 ' CG ' ' A' ' 100' ' ' LYS . 5.1 tt -43.29 -66.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -40.82 -46.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.85 -33.69 72.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.03 -16.53 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -95.44 -36.1 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 m -59.37 -38.67 81.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.02 -35.53 64.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.0 m -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.419 ' CG ' HG22 ' A' ' 10' ' ' THR . 42.8 m-20 -85.78 7.98 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -77.2 -32.93 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.6 m -58.37 -22.66 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 2.6 mp -77.37 -49.84 14.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 66' ' ' PHE . 39.1 t -60.19 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.463 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -63.6 -35.88 81.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.15 -46.1 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.5 t -82.73 -34.0 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.6 t -97.9 99.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -124.86 -36.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -65.87 -22.71 66.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -56.75 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.54 -65.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.56 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 24.7 tttp -160.88 162.63 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.7 pm0 -87.56 124.09 33.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 132' ' ' ILE . 6.3 m-30 -99.23 106.59 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.3 101.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.54 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 11.7 mt -112.5 144.24 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -19.92 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -114.46 128.83 56.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -53.29 -38.38 63.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.52 -16.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 14.3 mt-10 -101.78 -19.42 15.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 88' ' ' TRP . 2.6 mm? -66.54 -13.47 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 129' ' ' GLU . 8.6 mt-10 -50.97 101.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 37.4 tt0 -34.06 -41.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -50.94 -49.0 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 128' ' ' GLU . 37.3 t80 -62.54 -35.52 79.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.556 HG22 ' CZ ' ' A' ' 71' ' ' PHE . 26.2 mm -61.2 -44.54 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 72' ' ' THR . 37.0 mmm-85 -52.15 -58.39 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.5 t -41.12 -41.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 138' ' ' LYS . 25.9 mm-40 -61.42 -53.19 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.603 HD12 ' CD1' ' A' ' 71' ' ' PHE . 59.6 mt -63.05 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -50.06 -41.94 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 135' ' ' GLU . 2.7 ptpp? -95.98 -42.26 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.22 49.97 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -40.65 138.12 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.63 108.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -123.89 133.31 53.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.32 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -50.03 109.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -150.33 135.66 17.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -112.6 148.17 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -154.23 148.17 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -129.26 130.13 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 55.1 p -39.32 -50.67 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -53.31 -48.83 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -147.21 173.11 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.64 -176.97 46.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.3 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.84 96.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -105.9 148.01 28.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -95.98 -29.74 13.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 8' ' ' MET . . . -57.1 175.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 11' ' ' LYS . 37.1 m -128.13 142.52 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.099 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' N ' HG23 ' A' ' 10' ' ' THR . 5.2 mmmm -113.73 175.5 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tt -143.87 143.24 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.568 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.0 m-20 -82.33 46.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.0 mtpt -22.82 -50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.1 pt-20 -52.22 -59.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.8 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.2 m -61.32 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -43.28 -38.9 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.29 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.14 -21.32 63.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -86.72 -47.59 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 29' ' ' SER . 3.6 mm? -49.49 -18.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' CG2' HG12 ' A' ' 31' ' ' VAL . 6.7 t -107.34 -38.07 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -65.92 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -56.7 156.18 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.65 -52.68 3.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.57 72.48 0.16 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -82.68 22.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.18 25.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.5 t -148.06 134.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.45 -18.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -137.66 143.26 41.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 48' ' ' GLN . 14.4 m -144.04 129.38 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -100.95 152.57 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -131.27 97.44 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -97.67 178.25 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.502 ' CE1' HG12 ' A' ' 43' ' ' ILE . 92.3 m-85 -99.35 145.57 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -119.8 14.24 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.8 71.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.21 27.22 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.5 m -159.54 121.17 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG12 ' CE1' ' A' ' 38' ' ' TYR . 39.5 mt -70.54 132.27 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 13' ' ' ASP . 15.8 m -147.02 143.88 18.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.176 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 119.66 6.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.52 -100.14 0.87 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.19 170.5 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' HG11 ' A' ' 31' ' ' VAL . 15.4 tt0 -163.62 136.47 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.68 169.31 37.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.03 22.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.7 t0 -85.37 106.07 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.92 -29.33 56.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -68.19 -20.69 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -81.89 -25.88 34.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -77.41 -42.61 35.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -67.39 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -86.31 3.06 44.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -109.13 -30.15 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 88' ' ' TRP . 42.1 m -82.53 114.71 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.44 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.5 p -124.15 176.88 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 91' ' ' GLU . 2.8 t0 -80.78 12.41 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.49 19.91 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.44 ' CG1' ' H ' ' A' ' 60' ' ' THR . 14.3 p -152.48 159.14 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -149.99 130.53 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.26 165.11 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' HG22 ' A' ' 108' ' ' VAL . 13.3 m-85 -83.12 156.35 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.51 104.77 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 60.4 t80 -90.37 110.49 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 43.2 t -115.19 147.28 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.587 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 52.0 ttt180 -86.29 137.08 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 136' ' ' LEU . 90.9 m-85 -138.21 100.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -64.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.5 p 53.55 14.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.19 73.31 0.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.558 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.62 -57.4 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.01 -40.03 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.55 -70.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -179.83 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -134.31 151.76 51.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 63.53 -170.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -105.32 164.51 11.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -119.67 -33.14 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 40.9 m-85 67.39 -175.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.22 130.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 9.6 tp -87.52 91.75 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mt -75.49 104.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -87.36 100.03 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CE3' HD21 ' A' ' 127' ' ' LEU . 63.4 t-105 -83.29 142.8 30.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.475 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 58.8 mt -151.35 99.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -37.03 129.9 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 13.7 mt-10 -72.49 5.71 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -115.75 -23.1 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.8 m -50.32 149.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 p -56.87 136.05 55.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -38.64 -56.17 2.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.8 -56.28 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -44.5 -48.65 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -65.2 -35.37 80.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.76 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -98.34 -51.89 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -40.78 -41.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.192 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.74 86.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 m -69.79 -36.41 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.114 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.59 -4.88 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.74 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.2 m -52.31 -25.13 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.28 -52.03 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 66' ' ' PHE . 86.9 t -59.05 -32.53 48.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -66.05 -35.58 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.89 -38.81 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.12 -42.65 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 68' ' ' PHE . 84.0 t -94.74 98.51 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -123.74 -30.84 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' PHE . 22.9 t30 -69.57 -26.11 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.86 -171.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.71 -67.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.569 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 17.8 tttt -161.26 161.05 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -84.81 127.44 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.465 ' CE2' HG22 ' A' ' 132' ' ' ILE . 5.5 m-30 -101.12 102.61 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.454 ' CG2' ' OE1' ' A' ' 118' ' ' GLU . 96.2 t -80.36 101.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 126' ' ' GLU . 8.4 mt -114.78 140.97 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -17.09 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -116.68 127.52 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 124' ' ' ARG . 36.1 mtm105 -52.16 -37.23 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -17.19 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -101.55 -18.66 15.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.567 HD21 ' CE3' ' A' ' 88' ' ' TRP . 2.6 mm? -65.86 -16.31 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -50.06 104.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 3.1 pt-20 -38.64 -36.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 6.6 m-20 -53.46 -46.05 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -67.47 -37.85 83.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.465 HG22 ' CE2' ' A' ' 119' ' ' PHE . 30.5 mm -55.96 -48.4 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -60.38 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.9 t -38.96 -40.12 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.46 -58.16 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 71' ' ' PHE . 51.8 mt -54.03 -45.78 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -47.81 -42.14 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -109.4 19.74 19.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -37.65 -49.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.44 116.05 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 140.94 -53.77 0.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.525 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 67.3 -169.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.309 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -72.46 107.41 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -179.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -100.37 175.52 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.49 108.96 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -54.53 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.7 p -63.43 172.01 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -87.58 -42.65 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 61.29 -170.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.89 144.73 40.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -38.43 -57.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.0 140.7 29.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.7 p -100.11 108.38 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.67 -58.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.85 142.87 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 11' ' ' LYS . 20.0 m -123.02 146.01 48.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.199 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' N ' HG23 ' A' ' 10' ' ' THR . 11.9 mmmt -127.68 161.53 28.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.8 tt -126.95 150.68 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.2 m-20 -87.51 45.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttm -22.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.6 pt-20 -52.46 -57.6 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.34 -33.31 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 28.0 m -62.61 -62.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 29.4 ttm180 -40.9 -42.67 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.45 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -62.47 -46.92 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.534 ' CD1' HG23 ' A' ' 112' ' ' VAL . 1.6 t80 -60.59 -20.98 62.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -85.64 -43.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -52.93 -15.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.51 HG13 ' CE1' ' A' ' 68' ' ' PHE . 4.4 p -110.75 -24.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ptt180 -82.17 -28.56 32.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.01 155.39 40.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.32 100.09 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.24 54.07 18.68 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.54 20.03 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.802 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.94 16.43 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.0 t -153.63 139.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -119.19 -19.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 40.5 p-90 -137.89 154.25 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.507 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 9.3 p -152.53 137.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLY . 7.3 p -107.75 148.46 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 66.0 m-85 -127.99 96.88 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -98.51 174.49 6.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.526 ' CE1' HG12 ' A' ' 43' ' ' ILE . 76.2 m-85 -94.47 146.85 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -119.76 16.85 12.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.65 72.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.98 24.74 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 m -158.12 124.06 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG12 ' CE1' ' A' ' 38' ' ' TYR . 21.8 mt -71.78 137.71 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' CG ' ' A' ' 13' ' ' ASP . 23.0 m -152.62 143.86 16.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 111.19 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.06 109.63 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -75.2 -99.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 2.4 m-20 -91.22 174.2 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.699 0.285 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -168.61 136.68 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.29 171.86 44.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.72 -14.57 21.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 3.0 m-20 -87.55 108.94 19.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 4.3 t80 -56.53 -27.99 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -72.12 -21.62 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -79.59 -27.14 41.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -76.16 -45.08 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 87.2 mt -64.07 -20.58 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -81.05 0.7 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 20.3 mm-40 -103.87 -46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 88' ' ' TRP . 3.4 p -66.4 112.93 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.45 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 61.7 p -123.12 176.25 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.62 2.51 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.11 18.56 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 ' CG1' ' H ' ' A' ' 60' ' ' THR . 10.2 p -154.09 159.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -150.79 131.21 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.04 170.06 12.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -83.76 151.57 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.96 101.18 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' A' ' 24' ' ' VAL . 4.6 t80 -91.99 118.86 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 t -125.07 148.63 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 17.2 ttt180 -104.53 123.16 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -113.43 149.9 33.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.8 107.35 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 t -158.16 129.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.71 143.67 5.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' SER . 47.6 m-20 -106.69 -72.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.553 ' C ' ' H ' ' A' ' 78' ' ' SER . . . 41.96 38.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.2 ttp 69.93 -15.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.553 ' H ' ' C ' ' A' ' 76' ' ' ALA . 6.5 t -156.65 99.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.3 127.96 21.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -107.29 148.44 28.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 p -81.88 120.59 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -97.1 163.47 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 5.3 m-85 -152.1 171.01 18.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.98 127.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD2' HG13 ' A' ' 108' ' ' VAL . 15.6 tp -81.63 91.0 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.24 100.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' PHE . 3.4 m -82.24 101.58 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.585 ' CE3' HD23 ' A' ' 127' ' ' LEU . 54.3 t-105 -82.41 140.8 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 90' ' ' GLY . 71.4 mt -146.63 99.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.46 134.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.82 3.64 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.94 -11.31 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 97' ' ' GLN . 43.6 t -58.94 144.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 95' ' ' GLY . 17.5 m -66.04 132.73 49.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.63 -36.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' SER . 1.2 tm? -52.12 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 24.8 mm-40 -59.51 -34.31 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 7.2 tmm_? -73.54 -26.11 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -88.62 -13.45 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -39.49 9.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -47.42 -36.97 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.69 -31.92 55.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.7 m -73.4 -29.86 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.429 ' CG ' HG21 ' A' ' 10' ' ' THR . 97.0 m-20 -85.53 3.73 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' ' OE1' ' A' ' 118' ' ' GLU . 6.6 ttpp -71.45 -32.54 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 15.3 m -60.33 -21.02 61.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -82.95 -49.42 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' A' ' 66' ' ' PHE . 19.8 t -63.06 -32.96 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -36.66 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' THR . 1.8 mm-40 -45.64 -36.69 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 18' ' ' ARG . 79.3 t -88.77 -41.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.534 HG23 ' CD1' ' A' ' 21' ' ' TYR . 46.0 t -96.68 99.96 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -122.13 -30.88 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' PHE . 0.5 OUTLIER -67.75 -28.06 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.21 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.17 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 8.1 tttp -161.79 162.59 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 6.5 pt-20 -86.79 134.05 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.1 m-85 -106.4 100.29 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.84 100.07 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.531 ' CG2' ' CD2' ' A' ' 127' ' ' LEU . 38.9 mt -111.6 143.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -17.26 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.72 126.75 53.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -51.76 -37.25 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -53.42 -15.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' OE2' ' CE2' ' A' ' 131' ' ' PHE . 3.2 mm-40 -101.8 -18.65 15.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.585 HD23 ' CE3' ' A' ' 88' ' ' TRP . 2.8 mm? -67.97 -12.33 60.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' GLU . 6.9 mt-10 -52.42 105.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 7.6 pt-20 -37.29 -37.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.03 -47.0 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE2' ' OE2' ' A' ' 126' ' ' GLU . 33.4 t80 -65.83 -34.71 78.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.19 -49.64 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -58.23 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -40.15 -39.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 139' ' ' ALA . 54.8 mm-40 -66.57 -56.83 8.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 64.6 mt -53.96 -41.8 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -54.24 -39.13 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -115.21 19.85 15.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 135' ' ' GLU . . . -50.79 175.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.14 68.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 144.25 95.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -136.27 104.2 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.78 110.97 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.6 125.33 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.53 103.2 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.58 101.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -50.24 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 20.6 m 39.24 48.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.751 0.31 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.89 139.11 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.3 m-20 -81.16 46.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASP . 5.8 mtpm? -23.07 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -53.06 -59.72 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.2 -36.13 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 m -60.49 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -40.01 -43.83 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -55.53 -52.95 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.054 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.639 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.4 t80 -60.24 -19.37 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -91.25 -46.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.6 mm? -46.41 -20.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.3 p -108.72 -36.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -28.5 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.835 0.35 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -119.31 -21.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.483 ' HB2' HG22 ' A' ' 69' ' ' VAL . 37.2 p-90 -134.58 158.32 44.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.054 HG21 ' HB1' ' A' ' 20' ' ' ALA . 12.3 p -159.38 136.75 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -108.69 149.41 29.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' HG13 ' A' ' 34' ' ' VAL . 36.9 m-85 -127.27 98.31 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -99.89 171.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' HG12 ' A' ' 43' ' ' ILE . 87.0 m-85 -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.1 t0 -119.78 11.91 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 128.65 69.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.88 26.1 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -158.03 115.69 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 38' ' ' TYR . 40.4 mt -64.68 127.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.9 m -140.29 144.78 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 111.55 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.779 2.319 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.61 -103.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.51 170.27 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -167.75 139.12 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.9 174.7 42.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.04 -18.88 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -85.81 105.3 16.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.72 ' HE2' HG11 ' A' ' 69' ' ' VAL . 8.3 t80 -54.54 -28.36 45.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.41 -21.39 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -80.51 -27.43 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.62 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -75.2 -46.78 31.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.69 -23.19 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -78.35 1.86 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -109.26 -31.89 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 40.1 m -80.9 117.38 21.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.447 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 34.7 p -138.27 176.16 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.6 m-20 -75.2 4.72 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -120.48 20.1 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 65' ' ' LEU . 12.7 p -160.09 156.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.94 135.18 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.741 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -174.51 169.46 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CD1' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -86.77 156.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -140.44 103.05 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' HG11 ' A' ' 24' ' ' VAL . 10.2 t80 -86.42 109.24 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.72 HG11 ' HE2' ' A' ' 52' ' ' TYR . 41.2 t -117.33 143.12 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 18.0 ttt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 2.8 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.22 128.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 85' ' ' LEU . 11.9 tp -80.2 92.95 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 121' ' ' ILE . 30.2 mt -75.12 100.03 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.0 m -84.23 101.49 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.6 t-105 -88.05 142.86 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 79.7 mt -149.14 99.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.873 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.98 134.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -77.44 8.36 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.67 -25.82 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.3 m -50.01 157.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 25.5 t -67.09 140.87 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.77 -50.32 1.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 99' ' ' ALA . 13.4 tp -44.44 -66.82 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 21.0 mt-30 -37.94 -41.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -73.65 -37.02 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -76.47 -21.19 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.8 mmmt -95.63 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 27.8 m -36.81 -37.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.8 -38.5 66.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 100' ' ' LYS . 54.8 m -68.76 -41.07 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.57 -4.82 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' CE ' ' HG3' ' A' ' 118' ' ' GLU . 19.3 ttmt -59.18 -35.28 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.6 m -56.26 -24.96 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.0 mt -78.46 -51.47 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 66' ' ' PHE . 38.8 t -62.18 -31.97 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -65.43 -34.4 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -45.32 -37.9 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.6 t -90.9 -39.66 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 21' ' ' TYR . 54.5 t -95.24 99.73 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.19 -32.04 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' PHE . 4.3 t-20 -68.14 -27.16 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.4 -170.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.7 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 44.6 tttt -161.08 164.65 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.2 pm0 -90.71 125.62 35.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 132' ' ' ILE . 9.2 m-30 -100.33 104.9 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.89 100.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 86' ' ' ILE . 10.3 mt -110.73 145.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -19.72 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -116.15 126.85 54.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -51.48 -36.23 43.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -52.23 -15.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.59 -18.18 14.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -67.92 -13.6 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 130' ' ' ASP . 5.1 mt-10 -50.01 105.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tt0 -38.65 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 128' ' ' GLU . 74.7 m-20 -59.66 -46.17 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 128' ' ' GLU . 30.8 t80 -67.48 -36.8 81.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.456 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.7 mm -59.96 -50.71 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.449 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -49.11 -57.44 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.0 m -41.58 -42.29 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.756 0.312 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 108' ' ' VAL . 10.7 tt -140.04 153.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 14' ' ' LYS . 6.6 t0 -89.03 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 13' ' ' ASP . 23.5 mtpt -22.41 -49.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -54.98 -58.15 8.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.52 -37.06 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HB2' HG21 ' A' ' 111' ' ' VAL . 56.6 m -59.56 -61.19 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 38.8 ttp180 -42.74 -43.03 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.62 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.059 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.3 -46.87 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.555 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.2 t80 -62.54 -30.3 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 24' ' ' VAL . 65.6 m-20 -75.86 -53.73 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.8 mm? -44.06 -21.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 22' ' ' ASN . 19.4 t -104.16 -31.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 5.1 ptt180 -72.76 -29.69 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 48' ' ' GLN . 2.8 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 pt -120.04 -13.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.551 ' HB2' HG22 ' A' ' 69' ' ' VAL . 44.6 p-90 -146.96 159.7 43.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.059 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.1 p -155.61 149.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 47' ' ' ASP . 11.3 p -122.59 145.74 48.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -123.62 97.8 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -98.91 -178.39 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -102.3 145.25 29.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 t70 -119.95 13.63 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.23 74.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.576 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.31 25.36 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -158.76 129.64 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG22 ' A' ' 108' ' ' VAL . 34.6 mt -77.91 129.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 13' ' ' ASP . 34.8 m -142.9 144.45 29.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.8 Cg_exo -52.12 102.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.22 -99.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . 2.2 m-20 -95.14 168.4 10.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.9 tt0 -169.12 149.07 4.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.93 177.58 42.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.7 10.18 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 2.0 m-20 -114.75 104.13 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.877 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.9 t80 -52.64 -29.98 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.2 mp0 -68.88 -24.25 64.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -77.95 -29.04 49.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.8 -45.08 45.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.1 -17.84 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.24 2.44 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -108.63 -29.07 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.8 m -79.62 117.82 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.631 ' OG1' HG12 ' A' ' 63' ' ' VAL . 33.1 p -131.24 173.55 10.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.88 7.0 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.74 18.04 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' OG1' ' A' ' 60' ' ' THR . 12.7 p -153.91 159.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.52 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.6 135.22 16.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.64 161.81 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 108' ' ' VAL . 18.2 m-85 -76.78 152.79 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' VAL . . . -140.63 104.47 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 89.5 t80 -93.38 111.65 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' CE2' ' A' ' 52' ' ' TYR . 22.9 t -117.71 149.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.0 m-85 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.66 128.88 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 11.9 tp -80.5 93.51 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 121' ' ' ILE . 20.3 mt -73.84 99.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 119' ' ' PHE . 10.2 m -79.78 102.19 8.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.694 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.3 t-105 -84.2 141.62 30.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.922 HG21 ' HG3' ' A' ' 98' ' ' ARG . 60.2 mt -147.85 100.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -35.01 134.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -74.51 0.02 16.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -112.02 -13.96 13.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' GLY . 4.8 t -54.7 160.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 95' ' ' GLY . 20.0 m -81.19 133.19 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.36 -43.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -55.79 -60.62 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HB2' HG12 ' A' ' 93' ' ' VAL . 6.4 mt-30 -55.68 -38.98 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.922 ' HG3' HG21 ' A' ' 89' ' ' ILE . 34.8 ttt-85 -71.97 -27.43 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.44 -9.15 59.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.6 mmmt -95.48 -57.93 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 m -34.87 -39.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -70.27 -40.86 69.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 100' ' ' LYS . 97.1 m -68.29 -34.34 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.6 m-20 -72.98 -5.98 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.457 ' CD ' ' HG3' ' A' ' 118' ' ' GLU . 20.0 ttpt -61.61 -35.56 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.3 m -55.55 -22.16 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.604 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER -88.02 -52.86 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 66' ' ' PHE . 61.0 t -57.75 -36.66 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -64.25 -31.57 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.54 -44.51 12.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 17' ' ' CYS . 77.9 t -78.75 -51.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.555 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 p -94.9 97.83 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.87 -28.11 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' PHE . 1.3 p-10 -64.72 -26.4 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.18 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.67 -68.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.8 tttt -160.81 164.73 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -92.05 131.25 37.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.6 m-30 -102.77 110.43 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.21 99.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.991 HG21 HD22 ' A' ' 127' ' ' LEU . 1.4 mm -105.59 143.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.0 t -120.06 -16.36 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -127.08 131.83 50.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.808 ' HA ' HD23 ' A' ' 127' ' ' LEU . 40.1 mtm180 -52.17 -35.18 48.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -51.52 -19.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.8 mt-10 -100.81 -17.45 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 121' ' ' ILE . 4.6 mm? -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.94 106.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -39.66 -33.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.25 -45.99 76.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.25 -35.31 75.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.3 -54.26 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.48 -55.25 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -42.81 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.52 ' C ' HG23 ' A' ' 42' ' ' THR . 15.4 mtpp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 108' ' ' VAL . 7.7 tt -140.48 153.43 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -89.59 44.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.2 mtpp -24.61 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.7 mt-10 -56.42 -59.33 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.09 -32.23 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.33 -56.02 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HA ' HG21 ' A' ' 111' ' ' VAL . 28.0 ttm180 -42.29 -41.26 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.791 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.78 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.037 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -66.29 -40.0 89.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.6 OUTLIER -68.55 -16.83 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -94.04 -43.15 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.0 mm? -49.35 -18.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.0 p -105.62 -38.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -30.07 70.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.7 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.0 -17.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.656 ' HB2' HG22 ' A' ' 69' ' ' VAL . 52.3 p-90 -139.1 164.8 28.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.037 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.5 p -160.86 146.41 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -117.34 154.58 31.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.8 m-85 -130.87 97.5 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.09 172.13 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CE2' HG12 ' A' ' 43' ' ' ILE . 51.7 m-85 -95.8 144.08 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 7.3 t70 -109.9 10.68 24.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.66 -82.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.99 8.62 11.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 11' ' ' LYS . 10.8 m -148.76 145.55 27.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 38' ' ' TYR . 14.6 mt -74.74 149.65 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.463 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.1 m -157.85 146.4 14.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.07 120.06 6.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.89 -96.49 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -94.66 165.75 12.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -166.3 140.61 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.98 46.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.575 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.08 -25.78 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.8 107.99 11.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.4 t80 -55.48 -27.15 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -71.23 -20.32 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -80.15 -26.32 39.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.653 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.89 -39.5 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 87.6 mt -70.95 -16.53 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -86.18 4.88 36.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -110.56 -31.29 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 52.4 m -79.77 116.56 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.481 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.8 p -132.83 175.73 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.14 3.17 13.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.75 20.03 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.52 153.72 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -146.54 128.95 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.69 162.41 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CD1' HG21 ' A' ' 108' ' ' VAL . 16.6 m-85 -79.39 155.36 28.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.72 105.95 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 15.4 t80 -92.45 111.66 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 33' ' ' TRP . 66.8 t -115.85 148.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 32.9 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 25.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.29 130.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.3 tp -87.96 88.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' HD12 ' A' ' 121' ' ' ILE . 18.0 mt -74.9 104.37 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.07 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 119' ' ' PHE . 25.7 m -84.5 102.94 13.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.5 t-105 -85.22 142.93 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.763 HG21 ' HG3' ' A' ' 98' ' ' ARG . 76.5 mt -149.82 99.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.826 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.33 134.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.25 6.53 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.86 -29.18 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.0 m -49.95 151.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 12.4 t -68.72 141.97 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -36.58 -59.74 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -33.91 -61.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.46 -45.7 13.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.763 ' HG3' HG21 ' A' ' 89' ' ' ILE . 23.3 ttt180 -70.28 -32.39 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.13 -16.37 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.36 -46.71 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -51.37 -40.61 59.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.46 -36.47 54.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.5 m -71.14 -35.21 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.419 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 66.5 m-20 -75.73 -1.06 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.97 -36.9 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -53.93 -25.36 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.2 mt -80.53 -46.58 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.1 t -67.59 -24.61 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.44 -28.26 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.24 -50.08 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 18' ' ' ARG . 6.9 p -74.83 -42.19 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.547 HG12 HG13 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -106.84 99.57 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.05 -20.95 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.619 ' C ' ' ND2' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -76.54 -19.79 57.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.68 -167.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.84 -69.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.538 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 9.6 tttp -165.62 165.31 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.4 pp20? -85.61 123.22 30.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.8 m-30 -100.45 100.23 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.59 101.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.795 HG21 HD22 ' A' ' 127' ' ' LEU . 26.5 mt -113.54 142.17 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -117.61 -19.53 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.98 125.59 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -51.55 -36.71 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -53.54 -14.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.7 mt-10 -103.6 -17.08 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 121' ' ' ILE . 3.0 mm? -68.27 -13.23 62.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -50.31 105.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 pt-20 -39.63 -34.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 1.6 m-20 -56.29 -45.79 80.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -66.61 -38.33 86.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.425 HG23 ' CD2' ' A' ' 119' ' ' PHE . 24.0 mm -58.9 -47.33 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -50.93 -59.51 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -39.66 -38.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.7 tt -135.46 147.68 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.86 46.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 13' ' ' ASP . 29.4 mttm -22.22 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -53.13 -58.08 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.2 -35.4 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 111' ' ' VAL . 37.3 m -61.05 -62.19 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 21.6 ttp180 -39.42 -46.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.15 -48.87 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.077 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.85 -44.38 85.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.883 ' CD1' HG12 ' A' ' 112' ' ' VAL . 1.9 t80 -63.31 -20.82 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.23 -50.84 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.3 mm? -47.63 -19.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' ILE . 4.5 p -106.01 -33.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HD2' ' CZ ' ' A' ' 21' ' ' TYR . 1.4 ttt180 -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 48' ' ' GLN . 60.6 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.786 0.327 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.5 pt -119.31 -21.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . 47.5 p-90 -135.64 162.19 33.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.077 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.5 p -158.94 150.67 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -123.67 148.4 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.674 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 50.2 m-85 -128.33 99.73 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.42 176.96 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE1' HG12 ' A' ' 43' ' ' ILE . 77.6 m-85 -98.77 141.8 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.57 14.75 12.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.19 72.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.35 27.12 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -157.48 110.4 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 38' ' ' TYR . 16.9 mt -62.57 133.86 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.1 m -147.69 142.02 16.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.6 Cg_exo -52.01 106.02 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.298 . . . . 0.0 112.318 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.49 -99.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.87 172.75 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 15.8 tt0 -171.05 155.55 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.62 174.6 36.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.22 -8.65 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -94.84 106.24 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.7 t80 -54.59 -28.67 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.38 -21.52 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -79.88 -27.17 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.81 -42.64 39.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 56' ' ' ILE . 89.6 mt -67.78 -16.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -85.56 3.52 40.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -108.12 -33.31 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 58.3 m -76.81 116.4 17.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.476 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.2 p -134.12 174.42 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -75.23 3.19 9.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -120.26 20.02 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.595 HG22 HD12 ' A' ' 65' ' ' LEU . 10.7 p -159.09 151.27 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -144.95 130.47 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.756 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.28 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.9 m-85 -86.75 155.11 20.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -139.81 108.96 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.612 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.0 t80 -98.64 111.91 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 33' ' ' TRP . 12.4 t -121.71 153.88 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.859 0.362 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.79 133.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' A' ' 85' ' ' LEU . 12.1 tp -81.43 91.28 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 22.3 mt -72.59 99.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' PHE . 18.4 m -82.34 99.84 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.4 t-105 -84.5 141.81 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 80.8 mt -148.77 100.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.856 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.11 133.34 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -75.63 6.56 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.406 . . . . 0.0 110.938 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -119.03 -23.31 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.1 m -50.46 149.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.5 t -70.83 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.61 -52.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.514 HD23 ' HG2' ' A' ' 100' ' ' LYS . 3.6 tt -39.15 -65.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.91 -45.82 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -68.77 -34.18 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.78 -18.65 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.514 ' HG2' HD23 ' A' ' 96' ' ' LEU . 6.0 mmpt? -95.93 -38.5 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -59.24 -37.18 76.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.84 -40.62 44.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.9 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.502 ' HA ' HD13 ' A' ' 107' ' ' LEU . 11.6 m-20 -87.22 10.18 17.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -81.41 -32.45 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 9.0 m -59.49 -15.82 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.7 mp -84.1 -45.32 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -62.64 -39.34 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HE3' ' OE1' ' A' ' 110' ' ' GLU . 21.5 ttpt -61.24 -37.71 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 106' ' ' THR . 2.1 mm-40 -46.36 -48.64 18.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' CYS . 97.3 t -70.52 -51.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.883 HG12 ' CD1' ' A' ' 21' ' ' TYR . 2.2 m -95.9 111.59 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -125.87 -25.92 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 115' ' ' PHE . 5.4 t-20 -64.07 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.1 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.22 -68.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 26.1 tttt -158.44 165.26 35.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pp20? -86.81 128.38 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.485 ' CD2' HG23 ' A' ' 132' ' ' ILE . 8.0 m-30 -102.39 103.49 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.517 HG23 ' OE1' ' A' ' 118' ' ' GLU . 95.0 t -81.87 101.95 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.805 HG21 HD22 ' A' ' 127' ' ' LEU . 20.6 mt -112.86 142.81 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.25 -17.41 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -117.14 127.24 53.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -52.3 -37.82 56.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.37 -15.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.2 mt-10 -102.11 -19.34 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.97 -15.37 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.3 105.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.9 pt-20 -39.15 -34.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.42 -45.04 80.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.53 -38.97 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.485 HG23 ' CD2' ' A' ' 119' ' ' PHE . 31.1 mm -51.4 -49.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.95 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -40.07 -40.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 13.3 mm-40 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.735 0.302 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.2 tt -127.41 148.83 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -85.26 46.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 13' ' ' ASP . 43.5 mttt -25.52 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.6 mt-10 -57.9 -60.43 3.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.16 -33.26 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.02 -54.67 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HA ' HG11 ' A' ' 111' ' ' VAL . 49.2 ttp180 -47.58 -35.38 9.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.64 -48.92 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -65.51 -45.11 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.674 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.1 t80 -62.1 -23.56 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 66.5 m-20 -86.53 -45.38 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.7 mm? -50.12 -17.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.591 ' CG2' HG13 ' A' ' 34' ' ' VAL . 16.3 t -107.52 -30.13 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 14.4 ptt85 -75.5 -30.75 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 48' ' ' GLN . 2.0 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG22 HH21 ' A' ' 70' ' ' ARG . 7.3 pt -120.14 -13.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.778 ' CB ' HG22 ' A' ' 69' ' ' VAL . 51.4 p-90 -142.49 141.73 32.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 48' ' ' GLN . 5.8 m -142.62 121.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -94.29 152.74 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 74.8 m-85 -132.35 98.78 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -100.86 174.71 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.425 ' CE1' HG12 ' A' ' 43' ' ' ILE . 72.3 m-85 -93.3 145.92 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.8 16.94 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.67 70.69 0.3 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.69 27.22 4.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 m -161.5 117.47 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.543 HD12 ' HB ' ' A' ' 12' ' ' ILE . 22.7 mt -64.68 139.55 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 12.1 m -156.24 141.67 12.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.752 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.8 Cg_exo -52.0 124.07 13.89 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.748 2.299 . . . . 0.0 112.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.6 -99.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -81.72 163.09 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.811 ' HG3' HG12 ' A' ' 34' ' ' VAL . 18.2 tt0 -160.27 139.92 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.05 169.51 34.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 13.39 33.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 4.4 t0 -112.53 103.13 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.5 t80 -52.3 -29.57 24.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.3 mp0 -69.56 -25.27 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.04 -30.12 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.524 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -75.08 -44.02 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 88.1 mt -65.4 -17.47 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.19 0.95 46.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -108.25 -33.61 7.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.5 m -76.07 116.08 16.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.452 ' OG1' HG12 ' A' ' 63' ' ' VAL . 80.0 p -134.89 175.73 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.0 m-20 -76.31 5.98 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 62' ' ' ASP . 24.5 t70 -120.86 19.64 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 65' ' ' LEU . 8.2 p -161.46 152.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.531 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.48 133.45 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.72 173.35 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.629 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.3 m-85 -89.91 162.43 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -149.3 106.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 70.0 t80 -92.02 106.77 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.778 HG22 ' CB ' ' A' ' 33' ' ' TRP . 91.1 t -114.34 145.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 70' ' ' ARG . 1.7 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -176.74 127.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD21 HG12 ' A' ' 108' ' ' VAL . 3.6 tp -80.49 88.21 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 26.2 mt -73.52 103.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 87' ' ' THR . 5.4 m -88.31 99.91 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 56.7 t-105 -82.15 142.88 31.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 61.7 mt -149.15 100.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.875 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.71 132.01 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.61 0.76 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -116.75 -20.19 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.6 m -50.52 147.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.9 t -67.45 142.87 56.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.99 -59.49 0.59 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.4 tt -33.83 -69.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.492 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 11.6 mp0 -41.44 -46.22 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.54 -33.18 74.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.15 -15.94 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.605 ' HG2' HD23 ' A' ' 96' ' ' LEU . 5.6 mmpt? -95.37 -39.42 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -54.42 -39.2 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.66 -37.46 45.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.5 m -70.14 -32.11 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.582 ' HA ' HD13 ' A' ' 107' ' ' LEU . 22.5 m-20 -84.69 5.7 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.82 -33.86 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m -59.52 -20.54 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -83.14 -48.92 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.629 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -63.11 -30.6 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -68.47 -33.41 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 2.7 mm-40 -48.79 -42.18 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 18' ' ' ARG . 85.6 t -86.58 -33.48 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 21' ' ' TYR . 75.7 t -102.57 93.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -120.58 -32.21 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.58 -21.13 65.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -59.04 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.49 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 13.7 tttp -160.63 163.56 32.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pp20? -88.13 123.53 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 132' ' ' ILE . 7.5 m-30 -99.02 100.58 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 120' ' ' VAL . 2.6 p -82.35 101.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.813 HG21 HD22 ' A' ' 127' ' ' LEU . 22.4 mt -109.76 145.55 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 p -119.68 -16.92 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.51 ' CG ' ' HZ3' ' A' ' 125' ' ' LYS . 3.9 t0 -119.01 127.19 53.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.481 ' HA ' HD23 ' A' ' 127' ' ' LEU . 24.5 mtm180 -52.43 -36.86 55.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.51 ' HZ3' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -53.83 -14.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 18.9 mt-10 -102.62 -17.4 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -68.19 -13.96 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.2 mt-10 -49.99 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' GLU . 7.0 pt-20 -36.53 -34.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.37 -48.69 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.98 -34.77 78.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.8 mm -62.45 -54.31 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -56.18 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 m -42.99 -37.88 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 42' ' ' THR . 10.0 mtpp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.61 152.67 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.7 t0 -91.13 43.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 13' ' ' ASP . 4.9 mtmp? -21.97 -50.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' ASP . 7.5 pt-20 -54.07 -56.97 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.64 -38.21 77.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.46 -59.03 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 19' ' ' ALA . 4.3 tmm_? -47.02 -41.04 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 23' ' ' LEU . . . -60.98 -47.47 86.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.91 81.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -66.47 -16.9 64.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -91.23 -38.61 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -57.62 -19.25 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.34 -37.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -73.74 -26.79 60.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 HD23 ' A' ' 23' ' ' LEU . 3.9 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.793 0.33 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.94 -14.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 p-90 -142.33 144.82 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 48' ' ' GLN . 2.9 m -145.01 123.34 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -95.04 152.78 18.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 80.6 m-85 -130.59 97.29 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 174.16 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -94.64 147.48 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.9 t0 -119.96 14.85 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.22 75.98 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.84 22.92 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 11' ' ' LYS . 19.7 m -158.88 133.16 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.66 137.39 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 13' ' ' ASP . 32.7 m -149.84 140.92 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.6 Cg_exo -52.01 116.9 3.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.98 -112.33 0.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.67 166.8 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.7 tt0 -163.05 140.9 7.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.02 171.86 35.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.95 -16.15 21.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 22.9 t0 -83.62 104.87 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.6 ' HE2' HG11 ' A' ' 69' ' ' VAL . 4.6 t80 -54.94 -29.07 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -68.66 -21.61 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.07 -27.54 39.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.34 -41.88 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 56' ' ' ILE . 95.4 mt -68.63 -16.68 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -85.64 3.01 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -109.1 -30.69 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -78.63 116.03 18.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.478 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 21.4 p -132.88 177.98 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.72 7.47 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.28 20.03 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' LEU . 11.9 p -157.39 153.77 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.747 ' H ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -146.95 126.14 12.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -163.15 168.83 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 108' ' ' VAL . 7.5 m-85 -87.69 161.84 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -147.79 109.51 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 72.3 t80 -95.2 107.14 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.4 t -113.17 144.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 14.9 ttt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.525 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 2.5 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.35 129.39 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.74 HD21 ' CG1' ' A' ' 108' ' ' VAL . 7.2 tp -81.49 94.77 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.424 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt -75.0 99.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.8 m -81.64 100.61 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.2 t-105 -85.62 141.62 29.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.501 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 55.4 mt -147.97 100.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.746 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.35 136.29 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -77.93 9.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -116.07 -27.89 6.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 90' ' ' GLY . 28.2 m -51.07 146.09 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.204 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLY . 23.2 t -61.39 141.02 57.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -37.17 -52.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.0 tt -39.68 -67.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -39.88 -48.22 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -65.61 -33.72 76.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -75.9 -17.72 59.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -95.17 -38.33 10.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -56.68 -32.41 65.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.89 -32.2 57.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.5 m -77.82 -40.84 39.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.44 -9.15 55.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -58.67 -35.76 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.477 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 19.0 m -58.24 -23.13 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 107' ' ' LEU . 5.3 mt -77.31 -50.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.74 ' CG1' HD21 ' A' ' 85' ' ' LEU . 40.4 t -63.42 -30.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.449 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 1.5 tmmm? -65.91 -42.97 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LYS . 1.8 mm-40 -37.3 -39.33 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.3 -44.89 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 21' ' ' TYR . 89.0 t -90.58 98.73 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.17 -37.81 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 6.7 t30 -61.43 -29.18 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.05 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 -66.77 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 6.8 tttp -162.53 165.98 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -88.49 127.19 35.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.2 m-30 -101.28 106.75 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.441 HG23 ' OE2' ' A' ' 118' ' ' GLU . 64.6 t -83.38 100.44 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.847 HG21 HD22 ' A' ' 127' ' ' LEU . 31.5 mt -112.58 142.47 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.415 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.62 -17.14 8.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -117.14 126.9 53.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HA ' HD23 ' A' ' 127' ' ' LEU . 18.7 mtm180 -51.9 -35.6 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -53.46 -15.77 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.9 mt-10 -103.48 -16.09 15.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -69.1 -14.12 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' PHE . 10.1 mt-10 -50.0 106.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 47.1 tt0 -39.33 -35.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -56.91 -44.06 82.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 35.2 t80 -67.84 -36.49 80.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.415 HG23 ' CD2' ' A' ' 119' ' ' PHE . 34.3 mm -57.9 -48.75 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.98 -58.31 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.0 t -40.63 -39.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.727 0.299 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.3 tt -145.03 150.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -92.08 49.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 13' ' ' ASP . 28.8 mtpt -26.3 -43.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -56.84 -58.79 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -71.04 -32.88 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 111' ' ' VAL . 33.9 m -62.99 -52.8 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -51.6 -34.1 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.876 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -66.33 -47.33 73.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.575 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -67.33 -44.79 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.9 OUTLIER -67.27 -17.24 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.11 -43.42 9.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -53.29 -16.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.1 p -106.03 -39.7 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -28.94 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -119.34 -15.62 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.9 p-90 -139.27 144.59 38.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.746 HG12 ' HG3' ' A' ' 48' ' ' GLN . 22.6 m -144.24 134.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -104.57 153.11 21.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -127.98 96.39 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.53 171.41 7.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CE2' HG12 ' A' ' 43' ' ' ILE . 81.8 m-85 -97.27 147.44 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -119.98 9.11 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 131.54 70.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.571 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.03 22.1 5.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -153.37 118.91 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 38' ' ' TYR . 32.1 mt -66.51 136.05 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG12 ' CG ' ' A' ' 13' ' ' ASP . 31.6 m -150.43 146.09 19.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.19 113.24 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.53 -99.59 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' OE1' ' A' ' 58' ' ' GLN . 10.6 m-20 -90.35 169.38 11.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.746 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.0 tt0 -163.65 139.99 6.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 171.82 38.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.06 -21.68 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 9.1 t0 -82.69 105.69 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.767 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.32 -27.69 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.2 mp0 -67.96 -23.43 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.11 -28.21 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.665 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.43 -42.3 44.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 86.4 mt -67.58 -17.19 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -85.28 2.02 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.412 ' OE1' ' OD1' ' A' ' 47' ' ' ASP . 11.9 mm-40 -107.34 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 60.3 m -75.81 116.59 16.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.857 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.8 p -130.19 172.07 12.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 4.9 p30 -77.18 0.4 21.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -119.64 18.2 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.1 p -153.06 152.47 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.541 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -144.17 136.52 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -173.45 164.78 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 108' ' ' VAL . 15.8 m-85 -81.44 158.05 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -146.91 101.46 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 24' ' ' VAL . 6.9 t80 -90.18 118.26 29.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' A' ' 52' ' ' TYR . 29.9 t -121.77 143.64 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.545 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.545 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 3.7 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.57 125.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 118' ' ' GLU . 11.1 tp -76.0 90.58 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 121' ' ' ILE . 18.4 mt -70.47 100.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.1 m -85.78 101.22 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.5 t-105 -84.72 143.52 29.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 90' ' ' GLY . 59.9 mt -150.2 99.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.26 138.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.94 11.16 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.45 -28.59 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 90' ' ' GLY . 33.9 m -50.46 146.39 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 40.5 t -63.37 145.01 56.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -34.71 -58.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' ALA . 6.5 tp -33.97 -70.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.505 ' OE1' ' NE ' ' A' ' 64' ' ' ARG . 1.7 mm-40 -38.97 -39.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -77.07 -33.46 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.54 -17.4 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -96.91 -50.33 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.8 m -47.21 -32.35 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.11 -27.95 51.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.4 m -79.55 -33.83 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -77.83 -2.21 35.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -59.62 -37.17 77.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.521 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 22.6 m -55.52 -23.29 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 107' ' ' LEU . 5.0 mt -79.02 -49.87 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 66' ' ' PHE . 33.7 t -63.34 -31.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -66.54 -39.65 88.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.46 -42.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 17' ' ' CYS . 75.7 t -80.49 -48.67 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.53 ' HB ' ' CD2' ' A' ' 21' ' ' TYR . 2.6 p -100.43 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -119.88 -29.66 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.2 t30 -63.69 -26.36 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -52.61 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.27 -66.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 1.8 ttmt -164.91 157.04 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 5.2 pt-20 -84.87 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CD2' HG23 ' A' ' 132' ' ' ILE . 10.5 m-30 -108.85 106.9 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.2 t -82.73 100.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.742 HG21 HD22 ' A' ' 127' ' ' LEU . 23.6 mt -110.94 144.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.441 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -118.41 -18.88 9.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -114.55 124.68 52.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 127' ' ' LEU . 16.3 mtm105 -51.75 -35.52 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -15.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.507 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -102.66 -15.88 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -68.71 -14.72 63.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.4 mt-10 -49.95 105.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 41.9 tt0 -37.11 -34.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -56.69 -47.3 80.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 128' ' ' GLU . 51.9 t80 -66.36 -36.77 83.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.473 HG23 ' CD2' ' A' ' 119' ' ' PHE . 32.0 mm -56.82 -52.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -58.6 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.4 m -41.01 -44.49 2.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 13.1 tt -134.18 143.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.9 m-20 -82.45 44.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.5 mtmp? -22.53 -49.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.5 pt-20 -53.33 -58.91 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -67.89 -35.2 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.13 -62.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -43.56 -38.37 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.076 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.46 -45.8 85.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.3 t80 -60.64 -21.09 62.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -88.58 -44.86 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.7 mm? -52.18 -18.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 HG12 ' A' ' 31' ' ' VAL . 20.7 t -104.99 -40.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 114' ' ' ASN . 3.9 ttt85 -65.83 -32.81 74.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.5 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' CD ' ' A' ' 48' ' ' GLN . 2.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -120.77 -16.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 43.3 p-90 -140.03 156.78 46.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.3 p -155.23 139.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 p -110.5 151.35 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 m-85 -129.18 97.9 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -97.81 172.19 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 43' ' ' ILE . 89.1 m-85 -91.85 147.07 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.3 t0 -119.89 17.6 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.76 73.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.82 24.21 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -158.05 123.75 4.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.642 HD13 ' CG2' ' A' ' 108' ' ' VAL . 24.7 mt -70.78 133.88 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.7 m -148.46 147.14 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.06 117.22 3.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.279 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.09 -104.57 1.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 18.9 m-20 -86.81 167.71 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.612 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.3 tt0 -168.21 150.47 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.93 174.83 38.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.41 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.25 -12.69 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.14 104.51 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 4.2 t80 -53.12 -29.51 31.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -69.33 -23.32 63.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -77.44 -27.85 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.11 -45.95 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 90.8 mt -63.62 -21.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.59 1.38 29.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.43 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 15.2 mm-40 -105.31 -45.87 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HB2' ' CD1' ' A' ' 88' ' ' TRP . 4.9 p -67.99 116.11 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.508 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 26.1 p -129.35 -179.75 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.89 3.26 20.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.08 18.61 12.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 65' ' ' LEU . 7.3 p -156.46 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -147.88 123.73 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.13 165.03 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -84.8 155.1 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.25 103.54 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 78.2 t80 -89.51 111.84 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG11 ' CE2' ' A' ' 52' ' ' TYR . 10.8 t -117.53 145.55 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 2.3 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 20.4 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.02 126.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 12.9 tp -87.47 93.85 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG23 HD12 ' A' ' 121' ' ' ILE . 19.5 mt -76.97 103.71 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 119' ' ' PHE . 16.6 m -84.8 100.82 11.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.582 ' CD1' ' HB2' ' A' ' 59' ' ' CYS . 58.6 t-105 -81.92 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.904 HG21 ' HG2' ' A' ' 98' ' ' ARG . 75.2 mt -153.98 99.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.24 136.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.439 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.54 6.14 15.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.56 -21.18 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.473 HG11 ' HD2' ' A' ' 64' ' ' ARG . 2.6 t -50.69 159.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 24.7 t -74.46 134.66 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.86 -47.9 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.466 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.585 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.9 tt -55.03 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.449 ' HB2' HG12 ' A' ' 93' ' ' VAL . 11.6 mt-30 -51.96 -37.87 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.904 ' HG2' HG21 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -75.26 -29.25 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.41 -9.28 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.585 ' CG ' HD23 ' A' ' 96' ' ' LEU . 9.2 mmpt? -92.25 -39.88 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -55.99 -40.63 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.59 89.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.8 m -72.0 -38.73 69.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.3 m-20 -73.7 -7.06 50.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -58.48 -35.42 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -57.56 -23.92 53.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 107' ' ' LEU . 3.3 mt -80.67 -51.55 8.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 66' ' ' PHE . 43.8 t -60.74 -31.49 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -66.83 -38.26 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.78 -38.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.58 -43.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 21' ' ' TYR . 80.4 t -93.19 99.49 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -123.05 -32.03 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 25' ' ' ARG . 2.5 p-10 -67.79 -26.84 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.49 -170.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.615 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.6 tttp -161.15 163.65 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -88.19 123.56 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.8 m-30 -99.2 101.67 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 120' ' ' VAL . 3.3 p -82.33 100.49 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 127' ' ' LEU . 33.7 mt -109.54 143.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 p -119.8 -16.76 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.8 126.37 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -50.84 -36.64 38.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.59 -16.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.7 mt-10 -103.58 -19.09 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -66.44 -13.77 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' PHE . 6.9 mt-10 -50.32 106.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 31.4 tt0 -38.77 -36.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -55.57 -44.45 76.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.51 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 41.0 t80 -68.15 -35.25 77.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.6 mm -59.2 -49.87 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -49.76 -60.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 t -39.34 -41.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 4.1 mmpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 15.7 tt -129.66 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -91.9 44.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.6 mtpp -22.13 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.1 mt-10 -55.93 -61.31 2.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -63.98 -31.84 73.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 m -65.47 -55.56 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -40.08 -40.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.805 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.2 -51.6 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -64.22 -45.45 88.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.0 t80 -62.21 -21.26 64.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -91.45 -42.88 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.6 mm? -50.36 -16.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 70' ' ' ARG . 2.1 p -112.14 -37.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ttt180 -67.02 -31.07 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' H ' ' A' ' 49' ' ' GLY . 58.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 pt -112.63 -11.33 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.529 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 40.4 p-90 -143.8 145.66 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.747 HG12 ' HG2' ' A' ' 48' ' ' GLN . 33.1 m -147.43 130.24 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -99.93 158.44 15.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 63.0 m-85 -134.24 95.48 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -99.93 172.19 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 43' ' ' ILE . 69.9 m-85 -92.82 143.18 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -116.73 14.22 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.58 73.57 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 22.2 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -157.44 120.9 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 38' ' ' TYR . 13.8 mt -69.74 139.84 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG12 ' CG ' ' A' ' 13' ' ' ASP . 11.8 m -154.69 149.74 20.52 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 120.1 6.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.42 -97.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.94 176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.747 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.6 mt-30 -159.18 155.83 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' HG13 ' A' ' 31' ' ' VAL . . . 158.62 164.85 14.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.62 -16.74 28.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.02 103.44 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.699 ' HE2' HG11 ' A' ' 69' ' ' VAL . 6.1 t80 -54.77 -26.53 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -68.41 -21.97 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -78.97 -28.08 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.78 -42.55 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.75 -17.68 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -84.07 1.92 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -108.12 -30.25 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 61.4 m -76.7 115.73 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.541 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.5 p -130.29 172.37 11.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.7 p-10 -75.64 2.54 11.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -120.18 19.77 12.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.578 HG22 HD12 ' A' ' 65' ' ' LEU . 9.1 p -156.08 152.93 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.24 135.24 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.9 166.77 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 12.7 m-85 -82.07 157.2 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -143.83 102.46 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 24' ' ' VAL . 9.1 t80 -91.56 114.89 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.699 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.1 t -120.72 144.7 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB2' HG22 ' A' ' 24' ' ' VAL . 21.9 ttt180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.406 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.7 134.52 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.2 92.07 6.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 19.5 mt -73.8 100.14 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 m -84.45 100.05 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.584 ' CH2' ' O ' ' A' ' 122' ' ' SER . 59.6 t-105 -84.2 138.1 33.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 48.7 mt -146.23 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.968 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.39 122.01 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -3.0 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -108.8 -22.75 12.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 90' ' ' GLY . 19.2 m -53.66 150.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 66.4 m -58.52 131.84 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.53 -54.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 99' ' ' ALA . 2.9 tt -39.36 -65.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -38.83 -44.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.3 tmt_? -68.97 -37.12 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -70.14 -17.42 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -41.8 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -51.83 -38.13 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.34 71.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -73.41 -36.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 m-20 -73.21 -3.49 27.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HD3' ' CD ' ' A' ' 118' ' ' GLU . 6.3 ttpt -67.52 -32.98 74.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.5 m -52.08 -24.23 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -83.18 -52.9 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 66' ' ' PHE . 20.9 t -59.37 -29.21 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.8 -29.88 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 21.7 mm-40 -50.23 -48.23 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.431 HG13 HG23 ' A' ' 112' ' ' VAL . 7.6 p -80.11 -39.19 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.764 HG22 ' CD1' ' A' ' 21' ' ' TYR . 37.3 t -96.99 99.17 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.83 -36.32 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.7 m120 -61.81 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -51.92 -172.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.33 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 16.3 tttt -160.89 164.97 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pt-20 -88.1 130.32 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.553 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.0 m-30 -102.78 100.4 10.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.76 102.35 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.757 HG21 HD22 ' A' ' 127' ' ' LEU . 32.8 mt -115.12 146.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.584 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.48 -21.85 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.77 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -53.74 -33.46 55.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 19.9 mmtt -53.92 -18.71 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 15.8 mt-10 -101.82 -13.85 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.757 HD22 HG21 ' A' ' 121' ' ' ILE . 3.7 mm? -70.54 -15.65 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' PHE . 5.7 mt-10 -50.05 106.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -36.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 1.2 p30 -55.49 -46.09 76.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 56.6 t80 -66.57 -36.03 81.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.553 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.3 mm -55.27 -50.39 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -51.51 -58.94 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -40.47 -38.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 tt -145.33 138.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.541 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.1 m-20 -81.53 47.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 13' ' ' ASP . 65.8 mttt -25.56 -48.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ASP . 10.3 pt-20 -53.32 -54.53 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -72.36 -34.0 67.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -62.31 -60.59 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 47.7 ttp180 -44.96 -42.46 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.86 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.028 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.47 -40.1 95.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -22.2 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 50.1 m-20 -86.16 -46.92 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 2.5 mm? -48.0 -20.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.5 p -104.72 -27.61 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -77.64 -25.6 49.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 92.8 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.728 0.299 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 pt -119.97 -14.58 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 51.0 p-90 -142.72 163.8 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.7 p -161.88 140.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 p -109.43 155.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 83.1 m-85 -133.67 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -99.97 175.76 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 43' ' ' ILE . 53.2 m-85 -100.4 146.74 26.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -121.05 17.9 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.39 66.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 26.47 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -155.73 112.63 3.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 38' ' ' TYR . 17.9 mt -63.19 139.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.6 m -155.35 142.72 13.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.13 107.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.767 2.312 . . . . 0.0 112.258 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.02 -96.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -92.37 169.66 10.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 27.2 tt0 -169.97 146.82 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.38 176.68 41.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.37 -27.16 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 106.96 12.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.76 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.9 t80 -54.38 -27.15 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.4 mp0 -67.01 -23.61 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -76.79 -28.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -76.12 -45.3 34.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.02 -19.35 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.18 0.84 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -107.71 -30.36 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.8 m -76.89 116.0 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.632 ' OG1' HG12 ' A' ' 63' ' ' VAL . 39.6 p -134.43 172.81 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.18 5.12 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.01 17.11 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -155.77 161.18 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.554 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -152.54 124.94 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.52 169.8 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.1 m-85 -88.23 154.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -141.9 109.82 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 29.2 t80 -94.27 109.97 21.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HE2' ' A' ' 52' ' ' TYR . 55.6 t -113.07 140.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 43.2 ttt-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 14.9 m-85 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.97 125.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.2 tp -81.39 85.63 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.686 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -69.81 105.29 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 83.5 m -90.8 99.84 12.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 58.1 t-105 -81.36 144.96 31.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.874 HG21 ' HG2' ' A' ' 98' ' ' ARG . 72.4 mt -151.42 101.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -36.11 133.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.43 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.07 -10.6 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.79 -22.55 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 97' ' ' GLN . 7.3 t -50.76 149.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.4 t -65.94 132.8 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.58 -39.47 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.423 HD23 ' HG3' ' A' ' 100' ' ' LYS . 6.1 tt -59.08 -65.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB2' HG12 ' A' ' 93' ' ' VAL . 10.6 mm-40 -50.15 -35.65 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.874 ' HG2' HG21 ' A' ' 89' ' ' ILE . 6.5 tmm_? -74.95 -27.1 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.34 49.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 5.5 mmpt? -92.38 -41.8 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.5 m -51.84 -39.78 59.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.04 77.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.6 m -75.15 -36.88 61.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.77 -1.09 20.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.19 -35.49 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.3 m -54.09 -24.23 16.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -81.46 -49.48 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 66' ' ' PHE . 94.1 t -60.17 -34.41 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -64.28 -37.07 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.43 -28.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.4 t -98.22 -34.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -102.35 99.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.93 -27.49 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.38 15.93 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -96.78 -166.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -91.67 -69.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 12.6 tttp -168.13 161.35 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 2.8 pt-20 -81.55 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -107.28 100.36 9.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.6 t -79.19 100.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 127' ' ' LEU . 16.2 mt -112.3 140.16 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.492 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -116.88 -19.13 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -114.06 125.09 53.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -51.1 -38.12 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -50.87 -16.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 8.8 mt-10 -102.04 -19.96 14.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.768 HD22 HG21 ' A' ' 121' ' ' ILE . 2.2 mm? -66.12 -15.46 63.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 106.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.778 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -38.85 -35.9 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -67.09 -37.38 83.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.6 mm -54.3 -47.83 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -58.2 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.2 t -40.99 -34.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.517 ' C ' HG23 ' A' ' 42' ' ' THR . 7.7 mmmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.719 0.295 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' THR . 12.8 tt -140.81 144.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -83.01 44.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.6 mtpt -25.46 -43.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.2 mt-10 -58.23 -59.85 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.8 -31.61 70.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.74 -55.11 19.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HA ' HG11 ' A' ' 111' ' ' VAL . 38.0 ttp180 -48.89 -32.33 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.31 -48.34 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.73 -42.84 85.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -68.54 -15.72 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 22.7 m-20 -88.61 -36.39 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB3' HG11 ' A' ' 31' ' ' VAL . 1.5 mm? -58.69 -27.14 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 31' ' ' VAL . 55.7 t -95.39 -29.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 11.8 ptt85 -75.01 -25.15 58.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.902 HG21 ' HG2' ' A' ' 48' ' ' GLN . 2.6 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.825 0.345 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -123.13 -10.51 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.8 p-90 -145.6 143.17 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.002 HG12 ' HG3' ' A' ' 48' ' ' GLN . 30.7 m -142.3 122.48 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 67' ' ' ALA . 5.4 p -93.89 153.0 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 82.1 m-85 -132.81 99.58 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 43' ' ' ILE . 86.6 m-85 -94.01 146.39 23.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -116.14 15.14 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.17 -85.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.98 13.24 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 11' ' ' LYS . 29.9 m -155.38 147.75 23.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.2 mt -82.99 145.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 13' ' ' ASP . 30.5 m -152.0 150.47 25.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.726 0.774 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.94 118.94 4.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.793 2.329 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.76 -90.69 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 172.79 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 1.002 ' HG3' HG12 ' A' ' 34' ' ' VAL . 5.1 tt0 -162.83 128.75 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 33' ' ' TRP . . . -175.32 163.74 33.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -21.27 23.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.705 0.288 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -81.04 108.99 15.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.85 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.4 t80 -55.96 -29.69 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 32.7 mm-40 -68.09 -20.25 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -80.78 -26.07 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -78.8 -41.17 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.56 -17.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -82.99 1.01 42.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -107.95 -28.32 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.3 m -80.45 117.81 21.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.532 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.0 p -134.94 171.23 14.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 84.0 m-20 -74.0 1.95 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -120.03 19.82 12.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.56 HG22 HD12 ' A' ' 65' ' ' LEU . 11.0 p -157.01 155.14 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -148.21 134.22 19.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.41 166.93 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.749 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.7 m-85 -87.38 161.18 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 35' ' ' THR . . . -150.61 112.25 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 80.2 t80 -94.1 110.12 21.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 33' ' ' TRP . 15.2 t -115.29 141.69 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 8.5 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.03 127.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 7.4 tp -84.92 90.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 20.0 mt -74.87 100.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.1 m -86.52 100.37 12.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.531 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.5 t-105 -81.83 144.58 30.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 67.3 mt -150.97 99.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.77 129.68 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.81 -17.36 62.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 19.7 t70 -94.57 -18.78 21.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 97' ' ' GLN . 17.7 t -51.08 145.15 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 95' ' ' GLY . 32.3 t -65.08 133.93 52.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.24 -39.01 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 100' ' ' LYS . 2.0 tm? -56.93 -60.82 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.584 ' HB2' HG12 ' A' ' 93' ' ' VAL . 3.6 mm-40 -57.19 -36.04 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.2 ttp85 -72.57 -33.39 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.53 -5.07 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.25 -44.89 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.1 m -52.06 -34.97 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.46 -36.43 77.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 m -70.22 -39.69 74.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 36.5 m-20 -74.92 -4.33 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 2.9 ttpm? -62.45 -34.82 77.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.5 m -55.59 -23.15 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.3 mt -79.24 -48.14 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.749 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.5 t -64.11 -34.41 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.91 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -48.94 -40.84 31.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.531 HG11 ' HA ' ' A' ' 18' ' ' ARG . 80.9 t -85.39 -40.3 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 21' ' ' TYR . 87.9 t -96.8 96.07 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.98 -36.89 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.661 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.87 -170.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.97 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.661 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.7 tttp -160.12 164.32 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.0 pm0 -88.05 121.93 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -98.71 101.45 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.3 t -80.21 100.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 127' ' ' LEU . 10.6 mt -112.76 139.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.485 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 1.5 m -119.39 -15.28 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -118.49 127.79 53.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -52.57 -36.51 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.78 -16.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 mt-10 -103.65 -17.36 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -67.75 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLU . 11.2 mt-10 -50.22 103.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 26.1 tt0 -36.09 -35.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.67 -48.84 69.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 23.9 t80 -66.92 -35.83 80.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.5 mm -59.43 -53.17 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -57.75 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.1 t -41.07 -41.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.77 0.319 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 14.7 tt -136.07 139.86 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.8 m-20 -80.73 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.0 mtpp -25.34 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -53.3 -55.4 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -73.52 -33.04 64.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 27.0 m -61.3 -59.91 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -47.82 -37.34 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.79 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.34 -49.33 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.89 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -63.09 -18.0 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.401 ' HA ' HD21 ' A' ' 22' ' ' ASN . 5.6 m120 -91.06 -39.72 12.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.1 mm? -55.97 -19.57 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' A' ' 31' ' ' VAL . 2.9 t -103.47 -39.44 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -69.93 -29.77 67.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.691 HG12 ' CG2' ' A' ' 24' ' ' VAL . 15.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -120.67 -17.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.707 ' CB ' HG22 ' A' ' 69' ' ' VAL . 55.8 p-90 -137.39 146.77 44.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.736 HG12 ' HG3' ' A' ' 48' ' ' GLN . 7.0 m -146.64 118.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 p -91.32 152.3 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 84.1 m-85 -130.41 97.73 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -97.78 172.81 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.83 146.88 23.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -119.31 14.14 12.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.97 73.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.85 25.89 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -160.34 126.2 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.457 HD13 HG23 ' A' ' 108' ' ' VAL . 18.0 mt -73.56 132.66 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 m -147.79 144.69 19.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.556 0.694 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.7 Cg_exo -52.05 122.17 10.08 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.723 2.282 . . . . 0.0 112.273 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.59 -102.0 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 173.31 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.736 ' HG3' HG12 ' A' ' 34' ' ' VAL . 12.9 tt0 -167.01 137.15 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 174.88 169.14 36.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.45 -16.93 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.45 105.85 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.42 -28.49 44.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.68 -20.51 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -82.06 -26.6 33.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -78.74 -41.65 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 56' ' ' ILE . 90.4 mt -68.64 -17.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.065 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -85.12 2.6 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -110.3 -26.92 9.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 62.3 m -81.56 113.25 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.472 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 4.1 p -128.12 179.42 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.98 2.01 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -119.49 19.29 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 65' ' ' LEU . 13.8 p -154.65 158.4 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.75 128.2 10.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -164.2 162.87 22.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG21 ' A' ' 108' ' ' VAL . 19.4 m-85 -79.43 160.56 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.82 103.29 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 34' ' ' VAL . 70.4 t80 -90.34 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 33' ' ' TRP . 96.7 t -114.26 143.36 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 25.9 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 10.1 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.01 127.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 HG12 ' A' ' 108' ' ' VAL . 9.9 tp -85.78 87.35 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 121' ' ' ILE . 18.8 mt -72.32 104.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 119' ' ' PHE . 17.8 m -88.02 99.99 12.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.6 t-105 -79.83 144.33 33.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.765 HG21 ' HG3' ' A' ' 98' ' ' ARG . 68.1 mt -151.4 100.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.484 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.59 134.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.59 -9.55 58.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.49 -21.5 14.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' HA3' ' A' ' 90' ' ' GLY . 17.2 t -50.54 148.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 33.1 t -70.07 131.74 44.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -32.35 -39.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' SER . 1.6 tm? -52.59 -62.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.468 ' HB2' HG12 ' A' ' 93' ' ' VAL . 9.8 mm100 -59.02 -35.38 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.765 ' HG3' HG21 ' A' ' 89' ' ' ILE . 36.8 ttt180 -73.38 -26.52 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -89.77 -8.47 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 -43.58 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -50.42 -36.35 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.75 -33.57 76.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.3 m -73.77 -40.15 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 13.5 m-20 -68.05 -3.3 9.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HD2' ' CD ' ' A' ' 118' ' ' GLU . 5.2 ttpp -66.3 -32.41 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -54.32 -23.79 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER -84.96 -53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 66' ' ' PHE . 99.7 t -56.96 -34.14 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -65.2 -32.56 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 24.2 mm-40 -48.02 -41.08 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.3 t -84.87 -42.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 21' ' ' TYR . 98.5 t -93.34 98.41 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -124.72 -31.12 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 115' ' ' PHE . 12.3 t-20 -69.83 -25.75 63.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.83 -170.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.38 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 7.3 tttm -161.52 161.19 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 9.4 pt-20 -84.69 133.33 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.4 m-30 -107.66 100.02 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.14 100.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.817 HG21 HD22 ' A' ' 127' ' ' LEU . 23.5 mt -114.35 142.58 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.455 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.64 -16.78 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -117.25 126.45 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -51.44 -36.9 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -16.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.2 mt-10 -102.98 -18.64 14.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.817 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -66.92 -14.27 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.33 106.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 10.3 pm0 -39.88 -31.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.461 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 25.6 m-20 -58.13 -45.12 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.32 -37.21 80.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.37 -50.75 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -59.44 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 t -39.13 -38.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.546 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.3 tt -128.97 145.54 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.6 t0 -78.69 44.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.1 mttt -22.94 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -55.93 -57.69 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.97 -37.64 78.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 53.3 m -59.79 -59.58 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HA ' HG11 ' A' ' 111' ' ' VAL . 17.6 ttp180 -44.75 -40.92 6.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.558 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.24 -49.64 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.23 -45.28 88.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.9 t80 -62.19 -20.79 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -90.94 -43.15 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.71 -18.63 3.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' VAL . 55.1 t -105.7 -39.76 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.8 OUTLIER -68.71 -32.62 72.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 24' ' ' VAL . 2.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.76 0.314 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 pt -119.72 -12.48 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.6 p-90 -145.61 161.83 38.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.015 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.2 p -160.94 138.99 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.006 0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p -110.84 151.94 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 55.1 m-85 -130.42 96.88 4.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -99.25 171.86 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 43' ' ' ILE . 66.4 m-85 -93.48 149.16 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' VAL . 4.6 t0 -119.44 14.3 12.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.84 74.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.81 23.35 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -159.7 125.26 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.3 mt -68.11 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 39' ' ' ASP . 34.2 m -155.75 141.39 12.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_exo -52.05 113.47 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.32 -108.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -84.13 171.39 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.4 tt0 -172.26 139.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.14 -177.24 47.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 4.23 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.9 t70 -107.97 100.29 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.722 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.1 t80 -51.33 -29.45 15.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -67.96 -31.99 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -68.89 -36.05 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.02 -40.2 90.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.58 -18.4 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -80.47 -1.67 42.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -106.6 -33.31 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -76.22 113.7 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.452 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.1 p -131.9 178.18 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 16.9 m-20 -78.61 5.76 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -121.59 19.92 11.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG22 HD12 ' A' ' 65' ' ' LEU . 13.2 p -157.99 155.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.573 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.83 133.31 18.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.786 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.94 172.98 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.628 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.4 m-85 -88.24 158.78 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.44 107.57 4.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 58.1 t80 -94.67 108.18 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.722 HG11 ' CE2' ' A' ' 52' ' ' TYR . 46.6 t -113.03 144.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 18.6 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.56 131.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 108' ' ' VAL . 8.7 tp -88.93 86.53 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 17.8 mt -72.47 105.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' PHE . 54.2 m -86.71 100.06 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CE3' HD21 ' A' ' 127' ' ' LEU . 57.9 t-105 -81.83 141.2 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 65.3 mt -147.19 99.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.91 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.83 131.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -75.08 5.06 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 9.0 t0 -117.08 -23.9 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.2 144.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLY . 9.1 t -68.26 144.37 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.06 -59.75 0.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.451 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.5 tt -33.74 -62.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -47.25 -46.96 24.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -67.57 -31.8 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.93 -16.51 56.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.14 -33.85 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -63.61 -34.81 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -76.08 -38.47 34.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -69.86 -29.02 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.564 ' HA ' HD13 ' A' ' 107' ' ' LEU . 51.7 m-20 -87.38 5.77 37.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 8.3 m -59.04 -22.51 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.2 mp -78.57 -49.58 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 66' ' ' PHE . 25.0 t -60.55 -33.52 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -64.79 -36.24 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 106' ' ' THR . 40.3 mm-40 -46.71 -41.91 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 18' ' ' ARG . 73.6 t -87.02 -37.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 21' ' ' TYR . 71.3 t -99.14 98.03 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -124.0 -32.45 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 10.5 t-20 -66.73 -27.05 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.89 -171.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.17 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.3 tttt -161.82 163.89 29.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pt-20 -85.14 129.16 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -104.65 99.97 9.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 120' ' ' VAL . 12.3 p -79.07 101.18 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 86' ' ' ILE . 6.0 mt -118.57 141.42 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.495 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -119.7 -16.01 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.51 124.06 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 127' ' ' LEU . 21.2 mtm180 -51.33 -35.79 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -16.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.502 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.0 mt-10 -102.69 -19.28 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 121' ' ' ILE . 4.3 mm? -64.88 -15.42 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.09 104.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 133' ' ' ARG . 31.9 tt0 -39.4 -34.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.47 -45.45 73.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.52 -37.2 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.73 -47.04 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.458 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -52.0 -60.69 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.803 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -38.5 -38.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 11.7 tt -132.53 156.81 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.0 t0 -91.61 44.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.5 mtmt -22.37 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.8 mt-10 -55.55 -59.36 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.33 -37.78 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 47.9 m -59.11 -51.32 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HA ' HG11 ' A' ' 111' ' ' VAL . 21.6 ttp180 -50.07 -36.41 29.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.65 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.457 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -66.79 -42.18 86.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 112' ' ' VAL . 3.5 t80 -67.87 -22.76 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -88.26 -48.91 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD13 ' NE2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -46.14 -21.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.6 p -102.95 -39.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.43 HG21 HD22 ' A' ' 23' ' ' LEU . 85.7 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 pt -119.98 -18.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.2 p-90 -136.7 148.74 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -149.67 126.86 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p -97.47 155.54 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-85 -135.12 97.78 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -98.34 -179.83 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CE2' HG12 ' A' ' 43' ' ' ILE . 70.1 m-85 -103.77 149.48 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -122.93 14.66 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.32 70.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 24.16 5.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -154.58 122.6 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' CE2' ' A' ' 38' ' ' TYR . 25.3 mt -74.17 134.87 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 13' ' ' ASP . 27.3 m -148.1 143.29 17.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 111.065 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_exo -51.98 116.33 2.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.49 -110.98 0.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.48 174.08 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.632 ' HG3' HG12 ' A' ' 34' ' ' VAL . 11.4 tt0 -170.35 141.92 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.64 176.12 39.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 -17.73 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 106.11 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.821 ' HE2' HG11 ' A' ' 69' ' ' VAL . 3.4 t80 -54.91 -26.66 37.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -80.3 -27.26 38.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.02 -43.67 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.02 -17.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -84.92 2.23 43.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.69 -30.64 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.2 m -78.5 114.58 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.593 ' OG1' HG12 ' A' ' 63' ' ' VAL . 24.8 p -130.21 172.23 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 2.8 p30 -75.35 2.85 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.11 18.64 12.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.609 HG22 HD12 ' A' ' 65' ' ' LEU . 8.6 p -156.01 151.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.513 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.34 133.74 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.76 170.02 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.7 m-85 -84.22 156.38 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -143.38 100.1 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CD1' HG11 ' A' ' 24' ' ' VAL . 7.5 t80 -87.26 117.46 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.821 HG11 ' HE2' ' A' ' 52' ' ' TYR . 65.2 t -123.92 142.68 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.66 131.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.523 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.2 tp -86.73 93.12 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.582 HG23 HD12 ' A' ' 121' ' ' ILE . 11.2 mt -72.99 100.11 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' PHE . 30.5 m -81.16 100.11 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.9 t-105 -84.18 141.0 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.49 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 69.1 mt -148.15 99.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.862 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.26 127.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.462 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 7.4 pm0 -68.99 -2.28 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 8.9 t70 -107.85 -25.71 11.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 90' ' ' GLY . 15.6 m -50.53 147.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 4.1 m -62.56 130.79 46.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.22 -48.44 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -38.04 -65.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -45.45 -42.88 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -30.2 70.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.49 -19.31 56.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' THR . 22.0 mmmt -98.05 -58.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' LYS . 44.0 m -36.15 -40.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.3 -37.61 63.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.9 m -71.61 -36.79 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 m-20 -74.41 -4.79 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -60.97 -37.2 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 m -53.7 -25.0 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.1 mt -77.71 -49.92 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 66' ' ' PHE . 63.7 t -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -67.52 -40.6 85.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' LYS . 2.2 mm-40 -38.27 -40.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 18' ' ' ARG . 60.6 t -87.29 -28.88 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 109' ' ' LYS . 74.5 t -102.08 99.63 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -123.13 -36.8 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 115' ' ' PHE . 2.4 m120 -63.29 -29.14 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.44 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.79 -66.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 22.9 tttt -161.35 163.22 30.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.4 pt-20 -83.37 135.1 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -109.35 100.01 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.77 100.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 16.4 mt -114.25 142.31 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.432 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -118.51 -17.22 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.95 125.53 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -51.68 -36.68 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -51.88 -16.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.505 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 13.9 mt-10 -103.38 -18.09 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.3 mm? -67.11 -13.75 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.08 105.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 31.4 tt0 -39.63 -33.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -57.41 -44.65 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -67.17 -37.1 83.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.32 -50.26 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.484 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.3 OUTLIER -50.16 -58.7 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -39.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.1 tt -142.72 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.744 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.1 m-20 -85.17 43.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 13' ' ' ASP . 31.8 mtpt -23.19 -46.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.5 mt-10 -56.86 -60.26 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -66.85 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -63.7 -53.67 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -46.25 -39.09 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.78 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -62.39 -50.39 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.42 -42.07 98.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -67.0 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.47 -45.04 8.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.3 mm? -50.9 -16.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.4 p -109.68 -38.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.3 ttt-85 -67.01 -32.61 73.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 77.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.779 0.324 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.92 -18.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.527 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.0 p-90 -135.97 145.58 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.668 HG12 ' HG3' ' A' ' 48' ' ' GLN . 18.5 m -145.13 124.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -96.02 154.12 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.09 95.95 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -95.93 174.47 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 43' ' ' ILE . 80.9 m-85 -99.22 145.56 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -119.96 14.15 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.97 71.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.89 23.99 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -153.85 114.15 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 108' ' ' VAL . 20.4 mt -68.78 126.41 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.744 HG12 ' CG ' ' A' ' 13' ' ' ASP . 33.1 m -139.97 149.18 57.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.07 114.32 1.58 Allowed 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.761 2.307 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.21 -102.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.93 166.7 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.668 ' HG3' HG12 ' A' ' 34' ' ' VAL . 16.1 tt0 -160.65 140.23 10.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.12 41.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.21 -25.7 15.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -79.85 105.41 11.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.79 ' HE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.77 -27.55 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -66.84 -20.3 65.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -81.72 -26.39 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -77.57 -41.04 40.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.83 -17.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -84.12 3.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -110.93 -23.76 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.4 m -84.3 117.32 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.588 ' OG1' HG12 ' A' ' 63' ' ' VAL . 10.8 p -128.42 179.59 5.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 9.4 m-20 -84.06 4.2 31.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.06 18.64 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' OG1' ' A' ' 60' ' ' THR . 11.2 p -151.78 160.61 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.743 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -151.15 139.85 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -175.56 156.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.88 ' CE1' HG21 ' A' ' 108' ' ' VAL . 33.2 m-85 -75.55 161.07 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.13 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD1' HG11 ' A' ' 24' ' ' VAL . 18.1 t80 -95.02 106.55 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.79 HG11 ' HE2' ' A' ' 52' ' ' TYR . 53.4 t -112.96 143.85 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.547 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 20.1 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.68 131.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 112' ' ' VAL . 11.0 tp -86.68 90.08 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.741 HG23 HD12 ' A' ' 121' ' ' ILE . 19.2 mt -75.42 102.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.5 m -85.24 99.98 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 58.5 t-105 -77.83 144.28 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.548 HG21 ' HG3' ' A' ' 98' ' ' ARG . 67.8 mt -150.18 100.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.53 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.74 -24.55 17.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.92 -9.74 57.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 64' ' ' ARG . 4.1 t -62.32 163.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 93' ' ' VAL . 22.8 t -84.68 135.38 34.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.53 -38.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' C ' HD23 ' A' ' 96' ' ' LEU . 1.4 tt -55.0 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' C ' HH12 ' A' ' 64' ' ' ARG . 25.5 mm-40 -48.7 -46.19 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.548 ' HG3' HG21 ' A' ' 89' ' ' ILE . 24.0 ttt180 -60.48 -27.5 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.45 -2.38 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -100.04 -48.54 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -48.97 -33.17 10.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.15 69.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.6 m -77.77 -40.74 39.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 43' ' ' ILE . 48.3 m-20 -70.06 -9.55 55.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -61.24 -27.78 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.1 m -64.4 -19.21 65.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 107' ' ' LEU . 1.1 mt -88.12 -50.47 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.88 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.3 t -61.97 -34.1 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -66.14 -29.92 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -46.83 -45.46 20.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.72 -41.47 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 115' ' ' PHE . 97.7 t -93.52 97.37 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -124.12 -31.87 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 66.8 t30 -71.53 -23.71 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.81 -170.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.53 -68.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 35.2 tttt -162.78 162.1 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 pt-20 -83.21 133.95 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 132' ' ' ILE . 3.4 m-30 -108.79 100.0 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.7 100.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 15.4 mt -116.25 142.26 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.516 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 47.5 t -119.03 -16.21 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -115.72 126.61 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.5 mtm105 -52.19 -37.2 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -53.24 -15.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.5 mt-10 -103.07 -16.33 15.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.1 mm? -69.66 -12.27 61.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' PHE . 12.0 mt-10 -50.09 103.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 4.1 tm-20 -36.64 -40.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.38 -45.64 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' GLU . 36.5 t80 -63.28 -36.16 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.584 HG23 ' CE2' ' A' ' 119' ' ' PHE . 22.4 mm -61.56 -43.71 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -52.4 -59.58 4.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 t -40.81 -43.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 42' ' ' THR . 5.1 mmmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.0 tt -131.6 147.89 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.675 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.8 m-20 -80.94 46.72 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 13' ' ' ASP . 8.8 mttp -22.77 -45.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.3 mt-10 -59.69 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -65.45 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 34.6 m -67.57 -58.08 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -38.62 -41.21 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.787 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -59.86 -53.75 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -61.9 -40.7 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.584 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.5 t80 -66.3 -22.03 66.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 24' ' ' VAL . 12.0 m120 -90.31 -48.13 7.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.0 mm? -45.47 -20.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.1 p -106.3 -38.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -29.11 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 85.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.82 0.343 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -119.72 -18.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.642 ' CB ' HG22 ' A' ' 69' ' ' VAL . 49.6 p-90 -135.7 143.88 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.959 HG12 ' HG2' ' A' ' 48' ' ' GLN . 28.6 m -143.39 120.11 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 p -91.35 155.72 18.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' HG23 ' A' ' 34' ' ' VAL . 71.8 m-85 -133.84 99.86 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.12 178.65 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CE1' HG12 ' A' ' 43' ' ' ILE . 98.5 m-85 -95.39 146.44 24.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 14.6 t70 -118.52 16.02 13.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.25 -86.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.77 19.68 12.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 11' ' ' LYS . 30.7 m -158.96 149.55 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.548 HD11 ' HB3' ' A' ' 104' ' ' ASP . 9.9 mt -81.06 137.63 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.3 m -147.18 150.71 38.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.1 134.72 50.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.46 -80.13 1.5 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.14 176.12 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.959 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.9 mt-30 -155.61 161.15 40.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.18 167.09 20.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.04 -20.04 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 12.9 m-20 -81.36 102.79 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 69' ' ' VAL . 6.6 t80 -54.19 -28.94 43.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 57' ' ' GLN . 7.8 mm-40 -66.39 -34.36 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.572 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -65.55 -32.53 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.05 -41.21 91.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.17 -20.94 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.572 ' NE2' ' HA ' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -77.94 0.95 22.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -108.02 -31.21 8.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.3 m -77.76 117.26 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.691 ' OG1' HG12 ' A' ' 63' ' ' VAL . 34.4 p -132.53 169.97 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.92 18.68 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.691 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -157.63 150.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.496 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.71 131.94 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.58 11.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.594 ' CD1' HG21 ' A' ' 108' ' ' VAL . 14.2 m-85 -85.57 156.35 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.522 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.36 100.48 3.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.4 t80 -88.8 116.67 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG22 ' CB ' ' A' ' 33' ' ' TRP . 86.5 t -120.26 148.36 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 53.3 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.71 131.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.791 HD21 ' CG1' ' A' ' 108' ' ' VAL . 10.5 tp -84.72 91.79 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 38.5 mt -76.11 103.52 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 87' ' ' THR . 2.9 m -86.87 103.04 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 53.9 t-105 -83.15 143.85 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 72.4 mt -149.76 100.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.944 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.84 129.91 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -72.66 2.68 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.09 -24.05 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.17 146.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 95' ' ' GLY . 19.9 m -66.03 141.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.48 -50.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.4 tt -42.6 -66.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 8.8 mt-30 -40.22 -46.65 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.23 89.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.52 -14.25 62.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.491 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.23 -41.79 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -60.01 -37.1 78.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.84 47.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -70.48 -32.57 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.548 ' HA ' HD13 ' A' ' 107' ' ' LEU . 44.1 m-20 -84.47 9.81 12.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 m -58.19 -22.31 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.4 mp -78.13 -50.32 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.791 ' CG1' HD21 ' A' ' 85' ' ' LEU . 39.4 t -59.67 -33.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.48 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -65.38 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -48.46 -54.47 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.523 HG13 HG23 ' A' ' 112' ' ' VAL . 11.0 p -75.32 -29.76 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG22 ' CD1' ' A' ' 21' ' ' TYR . 29.1 t -103.39 99.95 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -121.96 -38.3 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.21 -26.71 66.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -54.32 -172.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.07 -65.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 51.4 tttt -160.09 162.1 34.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -88.55 124.41 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.0 m-30 -100.29 100.32 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.14 101.01 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 127' ' ' LEU . 17.6 mt -109.92 147.4 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -21.14 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -114.5 127.12 55.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -52.63 -36.7 57.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.89 -15.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.06 -19.36 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.42 -14.08 60.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' GLU . 9.4 mt-10 -50.02 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 12.7 tt0 -36.13 -36.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.81 -48.66 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 29.7 t80 -65.87 -36.16 82.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.55 -50.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.462 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.5 OUTLIER -52.94 -57.75 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -41.35 -40.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 15.3 tt -150.04 149.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -92.68 46.79 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 13' ' ' ASP . 25.5 mtmt -21.1 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 pt-20 -52.25 -59.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.47 -34.83 78.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.9 m -60.81 -62.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HA ' HG11 ' A' ' 111' ' ' VAL . 44.6 ttp180 -41.68 -40.78 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.751 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.84 -51.24 70.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.81 -44.9 91.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.4 t80 -64.44 -16.29 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -94.35 -41.64 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.15 -14.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.2 p -110.64 -38.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -29.56 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.76 0.314 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 9.9 pt -117.45 -11.48 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.548 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.4 p-90 -144.48 141.66 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.996 HG12 ' HG2' ' A' ' 48' ' ' GLN . 29.7 m -142.29 130.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.228 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.4 p -99.63 154.3 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -128.67 94.02 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -99.02 177.33 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -97.3 141.7 30.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.625 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.8 t0 -119.67 14.64 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 135.42 65.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.79 11.95 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -140.97 130.14 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 108' ' ' VAL . 42.4 mt -67.96 140.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 39' ' ' ASP . 13.7 m -155.81 145.54 15.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.68 0.752 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 53.5 Cg_exo -51.98 108.62 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -67.59 -100.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 174.92 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.996 ' HG2' HG12 ' A' ' 34' ' ' VAL . 6.4 mt-30 -154.61 163.91 39.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.98 161.1 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . . . -87.51 -19.87 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 16.3 t0 -80.46 100.25 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE2' HG11 ' A' ' 69' ' ' VAL . 8.6 t80 -53.51 -27.74 27.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 15.5 mm100 -67.26 -34.26 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 7.4 m170 -65.96 -33.73 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.625 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.41 -41.33 93.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.76 -20.21 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 2.1 mp0 -80.3 5.83 13.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -115.95 -30.61 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 37.3 m -79.09 104.88 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.474 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 31.0 p -119.39 177.62 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -78.92 4.48 14.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -120.28 20.56 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 14.9 p -156.85 154.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.553 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.74 133.93 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -172.67 165.57 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 29.2 m-85 -79.55 157.44 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -145.88 100.09 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CD1' HG11 ' A' ' 24' ' ' VAL . 13.4 t80 -90.75 118.0 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.855 HG11 ' CE2' ' A' ' 52' ' ' TYR . 21.9 t -124.05 141.62 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 38.9 ttt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 4.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.3 125.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' GLU . 13.2 tp -78.54 93.06 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.558 HG23 HD12 ' A' ' 121' ' ' ILE . 21.1 mt -73.05 100.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' PHE . 64.0 m -81.84 101.69 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 62.7 t-105 -86.16 138.58 31.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 59.9 mt -147.08 97.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.191 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.958 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.01 120.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.14 -4.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.345 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.26 -15.36 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 90' ' ' GLY . 26.2 m -54.42 153.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 6.7 t -70.13 135.49 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.01 -54.75 0.7 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -37.62 -60.74 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 5.1 mt-30 -44.55 -49.2 10.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -66.36 -33.16 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.86 63.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -34.5 10.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.445 ' O ' ' OD1' ' A' ' 104' ' ' ASP . 45.0 m -74.56 -24.9 59.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.19 -16.52 78.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 m -104.91 -31.57 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 101' ' ' THR . 1.2 p-10 -67.43 -16.06 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 15.4 ttmt -54.14 -31.63 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 21.6 m -64.45 -17.14 63.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.6 -44.97 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.76 HG23 HD13 ' A' ' 43' ' ' ILE . 65.2 t -66.94 -37.9 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 109' ' ' LYS . 2.4 ttpm? -62.76 -34.09 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.466 ' CD ' ' O ' ' A' ' 106' ' ' THR . 3.2 mm-40 -43.47 -47.28 7.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 18' ' ' ARG . 71.0 t -72.33 -49.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.223 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 1.1 p -97.24 101.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -28.24 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.88 -25.54 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.8 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.15 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 2.6 ttmt -162.38 165.1 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.2 pm0 -92.44 128.11 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 m-30 -101.56 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.07 100.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.769 HG21 HD22 ' A' ' 127' ' ' LEU . 28.6 mt -111.38 144.93 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.48 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.95 -19.2 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.01 126.06 53.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -50.85 -36.74 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -49.96 -18.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.9 mt-10 -102.5 -19.52 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -66.21 -15.8 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' ASP . 6.1 mt-10 -49.95 104.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 16.7 tt0 -36.03 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 44.1 m-20 -56.71 -48.85 76.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 126' ' ' GLU . 52.4 t80 -66.45 -36.06 81.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.01 -49.49 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.56 -53.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.7 t -45.08 -40.4 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.47 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 11.7 tt -135.22 146.24 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -81.77 45.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.6 mtpp -23.86 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.1 mt-10 -57.59 -59.59 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.3 -54.2 36.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HA ' HG11 ' A' ' 111' ' ' VAL . 36.1 ttp180 -45.69 -36.66 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.41 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -63.14 -47.12 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.1 t80 -60.73 -19.72 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.77 -44.54 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -49.07 -18.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.4 p -108.95 -34.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.07 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 69.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -119.96 -12.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 45.7 p-90 -142.76 140.93 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.01 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -142.64 128.99 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -98.79 154.7 17.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 72.3 m-85 -132.95 97.35 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -98.15 172.89 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.527 ' CE2' HG12 ' A' ' 43' ' ' ILE . 75.5 m-85 -94.07 141.77 28.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 44' ' ' VAL . 35.4 t0 -109.82 13.37 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.94 11.99 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.741 HG23 ' C ' ' A' ' 11' ' ' LYS . 6.0 m -152.22 142.51 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG12 ' CE2' ' A' ' 38' ' ' TYR . 18.8 mt -70.82 146.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 39' ' ' ASP . 16.8 m -154.4 143.33 14.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.04 123.05 11.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.15 -96.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD2' ' CD ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -92.92 179.79 5.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 1.01 ' HG3' HG12 ' A' ' 34' ' ' VAL . 9.5 tt0 -169.51 136.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.88 172.36 40.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.78 -25.04 16.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.87 105.68 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.77 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.2 t80 -53.97 -28.85 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.22 -20.62 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -82.24 -26.45 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -77.93 -43.94 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.23 -17.82 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -84.93 2.6 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CD ' ' OD2' ' A' ' 47' ' ' ASP . 10.9 mm-40 -108.5 -33.48 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.5 m -76.53 115.57 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.487 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.4 p -132.96 174.45 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' HA ' ' CA ' ' A' ' 90' ' ' GLY . 0.7 OUTLIER -75.43 5.11 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -121.07 19.46 11.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.82 151.74 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -144.93 124.1 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.66 171.53 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.3 m-85 -89.38 163.49 15.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -150.45 111.61 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 83' ' ' PHE . 18.5 t80 -92.44 104.41 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.77 HG11 ' HE2' ' A' ' 52' ' ' TYR . 44.2 t -108.74 142.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 17.7 ttt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 70' ' ' ARG . 28.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.88 134.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.583 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.7 tp -85.91 94.51 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.779 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -78.13 102.74 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' THR . 2.9 m -86.87 99.94 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 60.4 t-105 -82.88 144.07 30.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 86.0 mt -151.19 99.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.833 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.83 133.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.32 8.45 4.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -114.45 -27.56 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 90' ' ' GLY . 35.8 m -51.2 145.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.3 t -67.25 145.99 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.13 -50.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.1 tt -43.29 -66.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -40.82 -46.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG21 ' A' ' 89' ' ' ILE . 18.8 ttm-85 -69.85 -33.69 72.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.03 -16.53 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -36.1 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 m -59.37 -38.67 81.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.02 -35.53 64.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.0 m -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.532 ' HA ' HD13 ' A' ' 107' ' ' LEU . 42.8 m-20 -85.78 7.98 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -77.2 -32.93 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.6 m -58.37 -22.66 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.714 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.6 mp -77.37 -49.84 14.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.1 t -60.19 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.46 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -63.6 -35.88 81.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.15 -46.1 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.5 t -82.73 -34.0 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 115' ' ' PHE . 69.6 t -97.9 99.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -124.86 -36.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -65.87 -22.71 66.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -56.75 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.54 -65.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.56 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 24.7 tttp -160.88 162.63 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 1.7 pm0 -87.56 124.09 33.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.3 m-30 -99.23 106.59 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.3 101.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 86' ' ' ILE . 11.7 mt -112.5 144.24 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -19.92 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -114.46 128.83 56.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -53.29 -38.38 63.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.52 -16.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 14.3 mt-10 -101.78 -19.42 15.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -66.54 -13.47 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 129' ' ' GLU . 8.6 mt-10 -50.97 101.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 37.4 tt0 -34.06 -41.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -50.94 -49.0 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 37.3 t80 -62.54 -35.52 79.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 119' ' ' PHE . 26.2 mm -61.2 -44.54 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mmm-85 -52.15 -58.39 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.5 t -41.12 -41.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tt -143.87 143.24 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.568 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.0 m-20 -82.33 46.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.0 mtpt -22.82 -50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.1 pt-20 -52.22 -59.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.8 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.2 m -61.32 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -43.28 -38.9 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.29 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CD1' HG22 ' A' ' 112' ' ' VAL . 2.2 t80 -61.14 -21.32 63.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -86.72 -47.59 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 mm? -49.49 -18.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.52 ' CG2' HG13 ' A' ' 34' ' ' VAL . 6.7 t -107.34 -38.07 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -65.92 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.5 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.875 0.369 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.45 -18.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -137.66 143.26 41.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.92 HG12 ' HG3' ' A' ' 48' ' ' GLN . 14.4 m -144.04 129.38 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -100.95 152.57 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 91.5 m-85 -131.27 97.44 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -97.67 178.25 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.523 ' CE1' HG12 ' A' ' 43' ' ' ILE . 92.3 m-85 -99.35 145.57 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -119.8 14.24 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.8 71.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 27.22 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.5 m -159.54 121.17 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.523 HG12 ' CE1' ' A' ' 38' ' ' TYR . 39.5 mt -70.54 132.27 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG12 ' CG ' ' A' ' 13' ' ' ASP . 15.8 m -147.02 143.88 18.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.176 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 119.66 6.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.52 -100.14 0.87 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.19 170.5 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.92 ' HG3' HG12 ' A' ' 34' ' ' VAL . 15.4 tt0 -163.62 136.47 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.68 169.31 37.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.03 22.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.7 t0 -85.37 106.07 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.92 -29.33 56.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -68.19 -20.69 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -81.89 -25.88 34.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -77.41 -42.61 35.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 92.5 mt -67.39 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -86.31 3.06 44.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -109.13 -30.15 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 42.1 m -82.53 114.71 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.506 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.5 p -124.15 176.88 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 91' ' ' GLU . 2.8 t0 -80.78 12.41 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.49 19.91 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 65' ' ' LEU . 14.3 p -152.48 159.14 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -149.99 130.53 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.26 165.11 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -83.12 156.35 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.51 104.77 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 60.4 t80 -90.37 110.49 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 33' ' ' TRP . 43.2 t -115.19 147.28 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 52.0 ttt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 40.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.22 130.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.6 tp -87.52 91.75 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.831 HG23 HD12 ' A' ' 121' ' ' ILE . 18.5 mt -75.49 104.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 87' ' ' THR . 3.1 m -87.36 100.03 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.475 ' CE3' HD21 ' A' ' 127' ' ' LEU . 63.4 t-105 -83.29 142.8 30.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.569 HG21 ' HG3' ' A' ' 98' ' ' ARG . 58.8 mt -151.35 99.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.818 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -37.03 129.9 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 13.7 mt-10 -72.49 5.71 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 2.3 t70 -115.75 -23.1 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 90' ' ' GLY . 25.8 m -50.32 149.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 p -56.87 136.05 55.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -38.64 -56.17 2.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -42.8 -56.28 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -44.5 -48.65 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG3' HG21 ' A' ' 89' ' ' ILE . 10.0 ttt180 -65.2 -35.37 80.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.76 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.644 ' HG2' HD13 ' A' ' 96' ' ' LEU . 10.0 mmmm -98.34 -51.89 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.503 HG21 HG12 ' A' ' 89' ' ' ILE . 87.3 m -40.78 -41.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.192 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.74 86.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 m -69.79 -36.41 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.114 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.5 m-20 -67.59 -4.88 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.74 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.2 m -52.31 -25.13 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -82.28 -52.03 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.728 ' CG1' HD21 ' A' ' 85' ' ' LEU . 86.9 t -59.05 -32.53 48.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -66.05 -35.58 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.89 -38.81 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.12 -42.65 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 21' ' ' TYR . 84.0 t -94.74 98.51 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -123.74 -30.84 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' PHE . 22.9 t30 -69.57 -26.11 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.86 -171.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.71 -67.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 17.8 tttt -161.26 161.05 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.791 ' OE1' HG23 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -84.81 127.44 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.438 ' CD2' HG23 ' A' ' 132' ' ' ILE . 5.5 m-30 -101.12 102.61 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.791 HG23 ' OE1' ' A' ' 118' ' ' GLU . 96.2 t -80.36 101.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.831 HD12 HG23 ' A' ' 86' ' ' ILE . 8.4 mt -114.78 140.97 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -17.09 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -116.68 127.52 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 124' ' ' ARG . 36.1 mtm105 -52.16 -37.23 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -51.71 -17.19 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.496 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -101.55 -18.66 15.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -65.86 -16.31 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 125' ' ' LYS . 4.8 mt-10 -50.06 104.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 3.1 pt-20 -38.64 -36.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.495 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 6.6 m-20 -53.46 -46.05 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -67.47 -37.85 83.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.5 mm -55.96 -48.4 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -60.38 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.9 t -38.96 -40.12 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.8 tt -126.95 150.68 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.2 m-20 -87.51 45.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttm -22.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.6 pt-20 -52.46 -57.6 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.34 -33.31 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 28.0 m -62.61 -62.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' HG11 ' A' ' 111' ' ' VAL . 29.4 ttm180 -40.9 -42.67 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.45 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.972 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.47 -46.92 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.901 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -60.59 -20.98 62.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -85.64 -43.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -52.93 -15.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.684 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.4 p -110.75 -24.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ptt180 -82.17 -28.56 32.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 48' ' ' GLN . 59.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.35 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -119.19 -19.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.666 ' HB2' HG22 ' A' ' 69' ' ' VAL . 40.5 p-90 -137.89 154.25 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 ' HB1' ' A' ' 20' ' ' ALA . 9.3 p -152.53 137.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLY . 7.3 p -107.75 148.46 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 66.0 m-85 -127.99 96.88 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -98.51 174.49 6.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CE1' HG12 ' A' ' 43' ' ' ILE . 76.2 m-85 -94.47 146.85 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -119.76 16.85 12.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.65 72.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.98 24.74 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 m -158.12 124.06 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 104' ' ' ASP . 21.8 mt -71.78 137.71 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 13' ' ' ASP . 23.0 m -152.62 143.86 16.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 111.19 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.06 109.63 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -75.2 -99.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 2.4 m-20 -91.22 174.2 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.699 0.285 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HG2' HG11 ' A' ' 31' ' ' VAL . 20.2 tt0 -168.61 136.68 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.29 171.86 44.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.72 -14.57 21.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 3.0 m-20 -87.55 108.94 19.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 4.3 t80 -56.53 -27.99 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -72.12 -21.62 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -79.59 -27.14 41.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.16 -45.08 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 87.2 mt -64.07 -20.58 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -81.05 0.7 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 20.3 mm-40 -103.87 -46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 88' ' ' TRP . 3.4 p -66.4 112.93 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.649 ' OG1' HG12 ' A' ' 63' ' ' VAL . 61.7 p -123.12 176.25 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 1.2 p-10 -79.62 2.51 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.11 18.56 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG12 ' OG1' ' A' ' 60' ' ' THR . 10.2 p -154.09 159.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.597 ' H ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -150.79 131.21 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.73 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.04 170.06 12.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -83.76 151.57 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.96 101.18 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.6 t80 -91.99 118.86 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 ' HB2' ' A' ' 33' ' ' TRP . 23.3 t -125.07 148.63 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 17.2 ttt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 5.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.98 127.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -81.63 91.0 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.24 100.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' PHE . 3.4 m -82.24 101.58 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 t-105 -82.41 140.8 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 90' ' ' GLY . 71.4 mt -146.63 99.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.46 134.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.82 3.64 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 24.9 t70 -118.94 -11.31 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 97' ' ' GLN . 43.6 t -58.94 144.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 95' ' ' GLY . 17.5 m -66.04 132.73 49.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.63 -36.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.2 tm? -52.12 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 24.8 mm-40 -59.51 -34.31 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 7.2 tmm_? -73.54 -26.11 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -88.62 -13.45 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -39.49 9.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -47.42 -36.97 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.69 -31.92 55.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.7 m -73.4 -29.86 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.63 ' HB3' HD11 ' A' ' 43' ' ' ILE . 97.0 m-20 -85.53 3.73 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' ' OE1' ' A' ' 118' ' ' GLU . 6.6 ttpp -71.45 -32.54 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 15.3 m -60.33 -21.02 61.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -82.95 -49.42 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.8 t -63.06 -32.96 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -36.66 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' THR . 1.8 mm-40 -45.64 -36.69 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 18' ' ' ARG . 79.3 t -88.77 -41.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.901 HG22 ' CD1' ' A' ' 21' ' ' TYR . 46.0 t -96.68 99.96 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -122.13 -30.88 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' PHE . 0.5 OUTLIER -67.75 -28.06 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.21 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.17 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 8.1 tttp -161.79 162.59 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 6.5 pt-20 -86.79 134.05 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.1 m-85 -106.4 100.29 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.84 100.07 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.754 HG21 HD22 ' A' ' 127' ' ' LEU . 38.9 mt -111.6 143.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -17.26 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.72 126.75 53.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -51.76 -37.25 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 1.9 mppt? -53.42 -15.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 3.2 mm-40 -101.8 -18.65 15.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -67.97 -12.33 60.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' GLU . 6.9 mt-10 -52.42 105.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 7.6 pt-20 -37.29 -37.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.03 -47.0 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE2' ' OE2' ' A' ' 126' ' ' GLU . 33.4 t80 -65.83 -34.71 78.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.19 -49.64 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -58.23 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -40.15 -39.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p 49.85 32.52 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -113.35 104.32 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.49 143.15 8.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.05 160.53 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.46 122.62 38.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.33 151.51 26.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mmt -82.56 13.66 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.02 150.99 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 m -160.56 147.03 15.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -137.58 179.92 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.89 139.11 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.3 m-20 -81.16 46.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASP . 5.8 mtpm? -23.07 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -53.06 -59.72 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.2 -36.13 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 m -60.49 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -40.01 -43.83 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -55.53 -52.95 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.054 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.639 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.4 t80 -60.24 -19.37 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -91.25 -46.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.6 mm? -46.41 -20.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.3 p -108.72 -36.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -28.5 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.52 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -149.97 75.09 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -87.73 21.22 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.31 24.94 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.61 135.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -119.31 -21.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.483 ' HB2' HG22 ' A' ' 69' ' ' VAL . 37.2 p-90 -134.58 158.32 44.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.054 HG21 ' HB1' ' A' ' 20' ' ' ALA . 12.3 p -159.38 136.75 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -108.69 149.41 29.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' HG13 ' A' ' 34' ' ' VAL . 36.9 m-85 -127.27 98.31 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -99.89 171.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' HG12 ' A' ' 43' ' ' ILE . 87.0 m-85 -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.1 t0 -119.78 11.91 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 128.65 69.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.88 26.1 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -158.03 115.69 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 38' ' ' TYR . 40.4 mt -64.68 127.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.9 m -140.29 144.78 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 111.55 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.779 2.319 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.61 -103.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.51 170.27 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -167.75 139.12 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.9 174.7 42.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.04 -18.88 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -85.81 105.3 16.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.72 ' HE2' HG11 ' A' ' 69' ' ' VAL . 8.3 t80 -54.54 -28.36 45.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.41 -21.39 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -80.51 -27.43 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.62 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -75.2 -46.78 31.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.69 -23.19 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -78.35 1.86 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -109.26 -31.89 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 40.1 m -80.9 117.38 21.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.447 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 34.7 p -138.27 176.16 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.6 m-20 -75.2 4.72 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -120.48 20.1 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 65' ' ' LEU . 12.7 p -160.09 156.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.94 135.18 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -174.51 169.46 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CD1' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -86.77 156.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -140.44 103.05 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' HG11 ' A' ' 24' ' ' VAL . 10.2 t80 -86.42 109.24 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.72 HG11 ' HE2' ' A' ' 52' ' ' TYR . 41.2 t -117.33 143.12 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 18.0 ttt180 -92.85 136.89 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 28.7 m-85 -134.33 113.18 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.61 101.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.1 p -118.18 20.08 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 79' ' ' LYS . . . -105.76 84.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -119.17 -9.41 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.46 -75.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 mmm -100.76 -74.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -94.44 171.45 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 15.1 mtpp -110.32 19.86 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -67.22 167.81 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 1.8 t -112.19 164.83 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 40.1 mttt -117.09 -24.36 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 81' ' ' SER . 2.8 m-85 53.55 -171.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -177.22 128.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 85' ' ' LEU . 11.9 tp -80.2 92.95 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 121' ' ' ILE . 30.2 mt -75.12 100.03 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.0 m -84.23 101.49 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.6 t-105 -88.05 142.86 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 79.7 mt -149.14 99.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.873 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.98 134.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -77.44 8.36 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.67 -25.82 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.3 m -50.01 157.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 25.5 t -67.09 140.87 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.77 -50.32 1.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 99' ' ' ALA . 13.4 tp -44.44 -66.82 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 21.0 mt-30 -37.94 -41.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -73.65 -37.02 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -76.47 -21.19 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.8 mmmt -95.63 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 27.8 m -36.81 -37.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.8 -38.5 66.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 100' ' ' LYS . 54.8 m -68.76 -41.07 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.57 -4.82 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' CE ' ' HG3' ' A' ' 118' ' ' GLU . 19.3 ttmt -59.18 -35.28 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.6 m -56.26 -24.96 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.0 mt -78.46 -51.47 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 66' ' ' PHE . 38.8 t -62.18 -31.97 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -65.43 -34.4 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -45.32 -37.9 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.6 t -90.9 -39.66 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 21' ' ' TYR . 54.5 t -95.24 99.73 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.19 -32.04 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' PHE . 4.3 t-20 -68.14 -27.16 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.4 -170.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -97.7 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 44.6 tttt -161.08 164.65 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.2 pm0 -90.71 125.62 35.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 132' ' ' ILE . 9.2 m-30 -100.33 104.9 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.89 100.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 86' ' ' ILE . 10.3 mt -110.73 145.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -19.72 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -116.15 126.85 54.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -51.48 -36.23 43.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -52.23 -15.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.59 -18.18 14.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -67.92 -13.6 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 130' ' ' ASP . 5.1 mt-10 -50.01 105.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tt0 -38.65 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 128' ' ' GLU . 74.7 m-20 -59.66 -46.17 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 128' ' ' GLU . 30.8 t80 -67.48 -36.8 81.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.456 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.7 mm -59.96 -50.71 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.449 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -49.11 -57.44 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.0 m -41.58 -42.29 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -60.7 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 71' ' ' PHE . 79.5 mt -66.52 -33.98 76.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -52.01 -30.43 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -108.65 -32.67 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.918 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 138' ' ' LYS . . . 33.36 45.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.073 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.433 ' H ' ' CD ' ' A' ' 138' ' ' LYS . . . -131.43 142.88 14.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.99 130.09 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.52 157.21 44.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.592 ' O ' ' CD2' ' A' ' 144' ' ' TYR . 13.1 m-20 -72.86 -63.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 143' ' ' ASN . 45.6 p90 47.24 21.96 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -106.23 129.64 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -167.86 171.74 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -134.33 139.95 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.1 m -89.56 19.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 p -41.74 -60.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -38.6 -44.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.38 -115.88 8.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.7 38.69 30.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.78 171.93 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 7' ' ' THR . 15.3 t -61.19 126.16 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.5 mmm -152.64 133.61 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.45 176.75 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -112.01 143.77 42.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.63 173.33 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 108' ' ' VAL . 10.7 tt -140.04 153.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 14' ' ' LYS . 6.6 t0 -89.03 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 13' ' ' ASP . 23.5 mtpt -22.41 -49.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -54.98 -58.15 8.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.52 -37.06 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HB2' HG21 ' A' ' 111' ' ' VAL . 56.6 m -59.56 -61.19 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 38.8 ttp180 -42.74 -43.03 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.62 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.059 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.3 -46.87 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.555 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.2 t80 -62.54 -30.3 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 24' ' ' VAL . 65.6 m-20 -75.86 -53.73 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.8 mm? -44.06 -21.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 22' ' ' ASN . 19.4 t -104.16 -31.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 5.1 ptt180 -72.76 -29.69 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASP . 4.4 t0 -51.28 141.84 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASP . 22.2 m-20 -33.07 -57.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.68 81.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -94.83 -171.51 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.833 -179.704 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.61 20.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 48' ' ' GLN . 2.8 t -144.86 138.79 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 pt -120.04 -13.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.551 ' HB2' HG22 ' A' ' 69' ' ' VAL . 44.6 p-90 -146.96 159.7 43.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.059 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.1 p -155.61 149.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 47' ' ' ASP . 11.3 p -122.59 145.74 48.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -123.62 97.8 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -98.91 -178.39 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -102.3 145.25 29.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 t70 -119.95 13.63 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.23 74.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.576 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.31 25.36 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -158.76 129.64 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG22 ' A' ' 108' ' ' VAL . 34.6 mt -77.91 129.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 13' ' ' ASP . 34.8 m -142.9 144.45 29.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.8 Cg_exo -52.12 102.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.22 -99.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . 2.2 m-20 -95.14 168.4 10.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.9 tt0 -169.12 149.07 4.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.93 177.58 42.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.7 10.18 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 2.0 m-20 -114.75 104.13 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.877 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.9 t80 -52.64 -29.98 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.2 mp0 -68.88 -24.25 64.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -77.95 -29.04 49.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.8 -45.08 45.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.1 -17.84 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.24 2.44 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -108.63 -29.07 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.8 m -79.62 117.82 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.631 ' OG1' HG12 ' A' ' 63' ' ' VAL . 33.1 p -131.24 173.55 10.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.88 7.0 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.74 18.04 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' OG1' ' A' ' 60' ' ' THR . 12.7 p -153.91 159.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.6 135.22 16.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.64 161.81 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 108' ' ' VAL . 18.2 m-85 -76.78 152.79 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' VAL . . . -140.63 104.47 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 89.5 t80 -93.38 111.65 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' CE2' ' A' ' 52' ' ' TYR . 22.9 t -117.71 149.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.406 HH21 ' CG2' ' A' ' 72' ' ' THR . 17.3 ttt180 -100.14 125.39 46.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 17.4 m-85 -116.77 103.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.406 ' CG2' HH21 ' A' ' 70' ' ' ARG . 0.6 OUTLIER -58.56 133.18 55.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.4 p -144.92 104.64 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.96 57.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.529 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 30.6 t70 -85.03 19.95 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 75' ' ' ASP . . . 70.02 26.64 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 78' ' ' SER . 11.6 ptm -119.91 -37.88 3.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 77' ' ' MET . 75.2 m -114.13 -39.87 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.761 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 67.45 13.64 9.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 81' ' ' SER . 12.0 ttt85 -140.19 148.55 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.476 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 2.4 p -65.35 151.24 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.656 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 42.7 mmtt -107.79 170.1 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 3.0 m-85 -155.19 158.57 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -157.66 128.88 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 11.9 tp -80.5 93.51 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 121' ' ' ILE . 20.3 mt -73.84 99.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 119' ' ' PHE . 10.2 m -79.78 102.19 8.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.694 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.3 t-105 -84.2 141.62 30.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.922 HG21 ' HG3' ' A' ' 98' ' ' ARG . 60.2 mt -147.85 100.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -35.01 134.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -74.51 0.02 16.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -112.02 -13.96 13.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' GLY . 4.8 t -54.7 160.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 95' ' ' GLY . 20.0 m -81.19 133.19 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.36 -43.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -55.79 -60.62 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HB2' HG12 ' A' ' 93' ' ' VAL . 6.4 mt-30 -55.68 -38.98 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.922 ' HG3' HG21 ' A' ' 89' ' ' ILE . 34.8 ttt-85 -71.97 -27.43 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.44 -9.15 59.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.6 mmmt -95.48 -57.93 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 m -34.87 -39.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -70.27 -40.86 69.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 100' ' ' LYS . 97.1 m -68.29 -34.34 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.6 m-20 -72.98 -5.98 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.457 ' CD ' ' HG3' ' A' ' 118' ' ' GLU . 20.0 ttpt -61.61 -35.56 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.3 m -55.55 -22.16 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.604 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER -88.02 -52.86 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 66' ' ' PHE . 61.0 t -57.75 -36.66 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -64.25 -31.57 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.54 -44.51 12.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 17' ' ' CYS . 77.9 t -78.75 -51.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.555 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 p -94.9 97.83 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.87 -28.11 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' PHE . 1.3 p-10 -64.72 -26.4 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.18 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.67 -68.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.8 tttt -160.81 164.73 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -92.05 131.25 37.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.6 m-30 -102.77 110.43 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.21 99.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.991 HG21 HD22 ' A' ' 127' ' ' LEU . 1.4 mm -105.59 143.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.0 t -120.06 -16.36 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -127.08 131.83 50.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.808 ' HA ' HD23 ' A' ' 127' ' ' LEU . 40.1 mtm180 -52.17 -35.18 48.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -51.52 -19.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.8 mt-10 -100.81 -17.45 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 121' ' ' ILE . 4.6 mm? -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.94 106.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -39.66 -33.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.25 -45.99 76.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.25 -35.31 75.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mm -57.3 -54.26 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.48 -55.25 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -42.81 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.46 -52.5 64.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' A' ' 84' ' ' ALA . 51.2 mt -59.52 -43.13 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -52.33 -38.29 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -112.52 20.02 17.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -38.04 -42.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.88 -146.84 4.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 133.21 167.14 11.6 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.27 162.44 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -153.64 136.53 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -115.37 143.59 45.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 146' ' ' ALA . 10.4 p-10 -69.38 -43.35 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 145' ' ' ASP . . . -36.61 -64.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.68 163.65 23.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.0 m -95.14 146.71 24.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 50.5 41.63 25.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.346 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -139.03 156.54 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.03 168.0 30.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.59 131.22 13.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 9' ' ' ALA . . . -115.46 103.2 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -89.43 106.97 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 mtp 60.98 43.83 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -164.94 149.77 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.629 HG21 ' CG ' ' A' ' 104' ' ' ASP . 11.4 m -161.0 145.06 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' C ' HG23 ' A' ' 42' ' ' THR . 15.4 mtpp -136.15 179.98 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 108' ' ' VAL . 7.7 tt -140.48 153.43 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -89.59 44.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.2 mtpp -24.61 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.7 mt-10 -56.42 -59.33 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.09 -32.23 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.33 -56.02 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HA ' HG21 ' A' ' 111' ' ' VAL . 28.0 ttm180 -42.29 -41.26 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.791 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.78 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.037 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -66.29 -40.0 89.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.6 OUTLIER -68.55 -16.83 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -94.04 -43.15 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.0 mm? -49.35 -18.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.0 p -105.62 -38.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -30.07 70.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.36 158.83 25.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -104.67 18.9 21.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.36 6.56 5.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.9 m -112.35 108.32 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -39.2 -26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 61.7 t -56.72 130.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.0 -17.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.656 ' HB2' HG22 ' A' ' 69' ' ' VAL . 52.3 p-90 -139.1 164.8 28.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.037 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.5 p -160.86 146.41 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -117.34 154.58 31.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.8 m-85 -130.87 97.5 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.09 172.13 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CE2' HG12 ' A' ' 43' ' ' ILE . 51.7 m-85 -95.8 144.08 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 7.3 t70 -109.9 10.68 24.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.66 -82.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.99 8.62 11.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 11' ' ' LYS . 10.8 m -148.76 145.55 27.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 38' ' ' TYR . 14.6 mt -74.74 149.65 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.463 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.1 m -157.85 146.4 14.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.07 120.06 6.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.89 -96.49 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -94.66 165.75 12.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -166.3 140.61 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.98 46.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.575 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -95.08 -25.78 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.8 107.99 11.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.4 t80 -55.48 -27.15 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -71.23 -20.32 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -80.15 -26.32 39.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.653 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.89 -39.5 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 87.6 mt -70.95 -16.53 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -86.18 4.88 36.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -110.56 -31.29 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 52.4 m -79.77 116.56 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.481 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.8 p -132.83 175.73 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.14 3.17 13.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.75 20.03 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.52 153.72 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -146.54 128.95 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.69 162.41 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CD1' HG21 ' A' ' 108' ' ' VAL . 16.6 m-85 -79.39 155.36 28.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.72 105.95 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 15.4 t80 -92.45 111.66 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 33' ' ' TRP . 66.8 t -115.85 148.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 32.9 ttt180 -87.06 128.98 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 74.8 m-85 -132.41 100.13 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 134.41 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 82' ' ' LYS . 2.1 t -170.64 105.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' HA3' ' CB ' ' A' ' 78' ' ' SER . . . 154.71 133.1 1.7 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.545 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -97.17 -72.25 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.3 -31.92 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 78' ' ' SER . 10.5 ptp -76.59 -34.15 58.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.483 ' N ' ' HG3' ' A' ' 77' ' ' MET . 1.5 m -112.05 -59.08 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.8 tttm 42.92 22.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -145.24 140.89 28.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 57.5 m -52.17 147.68 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.864 ' HG2' ' HB2' ' A' ' 116' ' ' ALA . 6.2 tttt -104.22 -31.92 9.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 25.3 m-85 65.48 -174.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.29 130.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.3 tp -87.96 88.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' HD12 ' A' ' 121' ' ' ILE . 18.0 mt -74.9 104.37 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.07 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 119' ' ' PHE . 25.7 m -84.5 102.94 13.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.5 t-105 -85.22 142.93 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.763 HG21 ' HG3' ' A' ' 98' ' ' ARG . 76.5 mt -149.82 99.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.826 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.33 134.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.25 6.53 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.86 -29.18 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.0 m -49.95 151.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 12.4 t -68.72 141.97 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -36.58 -59.74 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -33.91 -61.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.46 -45.7 13.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.763 ' HG3' HG21 ' A' ' 89' ' ' ILE . 23.3 ttt180 -70.28 -32.39 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.13 -16.37 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.36 -46.71 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -51.37 -40.61 59.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.46 -36.47 54.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.5 m -71.14 -35.21 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.629 ' CG ' HG21 ' A' ' 10' ' ' THR . 66.5 m-20 -75.73 -1.06 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.97 -36.9 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -53.93 -25.36 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.2 mt -80.53 -46.58 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.1 t -67.59 -24.61 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.44 -28.26 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.24 -50.08 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 18' ' ' ARG . 6.9 p -74.83 -42.19 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.547 HG12 HG13 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -106.84 99.57 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.05 -20.95 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.619 ' C ' ' ND2' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -76.54 -19.79 57.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.68 -167.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.864 ' HB2' ' HG2' ' A' ' 82' ' ' LYS . . . -88.84 -69.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.538 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 9.6 tttp -165.62 165.31 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.4 pp20? -85.61 123.22 30.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.8 m-30 -100.45 100.23 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.59 101.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.795 HG21 HD22 ' A' ' 127' ' ' LEU . 26.5 mt -113.54 142.17 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -117.61 -19.53 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.98 125.59 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -51.55 -36.71 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -53.54 -14.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.7 mt-10 -103.6 -17.08 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 121' ' ' ILE . 3.0 mm? -68.27 -13.23 62.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -50.31 105.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 pt-20 -39.63 -34.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 1.6 m-20 -56.29 -45.79 80.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -66.61 -38.33 86.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.425 HG23 ' CD2' ' A' ' 119' ' ' PHE . 24.0 mm -58.9 -47.33 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -50.93 -59.51 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -39.66 -38.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.46 -61.02 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 79.6 mt -52.86 -40.22 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -49.71 -41.1 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -116.26 18.52 15.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -33.84 -50.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -45.41 154.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 140' ' ' GLY . . . -34.33 139.75 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.83 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -84.79 129.51 34.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -55.17 141.75 33.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.03 -57.76 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.96 127.08 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -144.11 137.87 27.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.2 m -128.97 161.05 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 50.22 42.16 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.23 -53.17 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.0 115.86 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.94 101.54 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.29 -57.07 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 m -61.95 117.28 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttp -74.51 104.0 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.05 155.45 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.561 HG21 ' CG ' ' A' ' 104' ' ' ASP . 10.4 m -159.46 147.8 17.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -140.06 179.98 6.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.7 tt -135.46 147.68 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.86 46.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 13' ' ' ASP . 29.4 mttm -22.22 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -53.13 -58.08 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.2 -35.4 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 111' ' ' VAL . 37.3 m -61.05 -62.19 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 21.6 ttp180 -39.42 -46.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.15 -48.87 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.077 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.85 -44.38 85.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.883 ' CD1' HG12 ' A' ' 112' ' ' VAL . 1.9 t80 -63.31 -20.82 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.23 -50.84 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.3 mm? -47.63 -19.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' ILE . 4.5 p -106.01 -33.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HD2' ' CZ ' ' A' ' 21' ' ' TYR . 1.4 ttt180 -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 1.8 t70 -50.86 142.49 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.09 -56.76 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.7 80.7 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -98.81 -172.85 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 110.804 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.62 19.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 48' ' ' GLN . 60.6 t -150.47 139.99 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.5 pt -119.31 -21.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . 47.5 p-90 -135.64 162.19 33.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.077 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.5 p -158.94 150.67 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -123.67 148.4 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.674 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 50.2 m-85 -128.33 99.73 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.42 176.96 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE1' HG12 ' A' ' 43' ' ' ILE . 77.6 m-85 -98.77 141.8 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.57 14.75 12.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.19 72.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.35 27.12 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -157.48 110.4 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 38' ' ' TYR . 16.9 mt -62.57 133.86 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.1 m -147.69 142.02 16.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.6 Cg_exo -52.01 106.02 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.298 . . . . 0.0 112.318 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.49 -99.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.87 172.75 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 15.8 tt0 -171.05 155.55 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.62 174.6 36.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.22 -8.65 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -94.84 106.24 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.7 t80 -54.59 -28.67 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.38 -21.52 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -79.88 -27.17 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.81 -42.64 39.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 56' ' ' ILE . 89.6 mt -67.78 -16.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -85.56 3.52 40.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -108.12 -33.31 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 58.3 m -76.81 116.4 17.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.476 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.2 p -134.12 174.42 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -75.23 3.19 9.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -120.26 20.02 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.595 HG22 HD12 ' A' ' 65' ' ' LEU . 10.7 p -159.09 151.27 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -144.95 130.47 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.756 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.28 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.9 m-85 -86.75 155.11 20.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -139.81 108.96 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.612 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.0 t80 -98.64 111.91 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 33' ' ' TRP . 12.4 t -121.71 153.88 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.43 115.82 29.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.504 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 43.7 m-85 -109.78 -174.78 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.45 101.38 2.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.95 -38.56 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' CA ' ' HA ' ' A' ' 79' ' ' LYS . . . 62.57 111.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.92 -28.57 5.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 31.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.9 mmt 67.54 30.27 6.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.5 p -169.15 100.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HA ' ' CA ' ' A' ' 74' ' ' GLY . 35.9 pttt -80.68 99.92 8.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -101.88 -72.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.96 117.78 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' NZ ' ' HB2' ' A' ' 116' ' ' ALA . 1.1 mmmp? -108.75 177.21 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 4.8 m-85 -155.53 169.81 23.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.555 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -167.79 133.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' A' ' 85' ' ' LEU . 12.1 tp -81.43 91.28 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 22.3 mt -72.59 99.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' PHE . 18.4 m -82.34 99.84 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.4 t-105 -84.5 141.81 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 80.8 mt -148.77 100.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.856 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.11 133.34 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -75.63 6.56 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.406 . . . . 0.0 110.938 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -119.03 -23.31 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.1 m -50.46 149.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.5 t -70.83 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.61 -52.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.514 HD23 ' HG2' ' A' ' 100' ' ' LYS . 3.6 tt -39.15 -65.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.91 -45.82 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -68.77 -34.18 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.78 -18.65 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.514 ' HG2' HD23 ' A' ' 96' ' ' LEU . 6.0 mmpt? -95.93 -38.5 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -59.24 -37.18 76.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.84 -40.62 44.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.9 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.561 ' CG ' HG21 ' A' ' 10' ' ' THR . 11.6 m-20 -87.22 10.18 17.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -81.41 -32.45 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 9.0 m -59.49 -15.82 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.7 mp -84.1 -45.32 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -62.64 -39.34 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HE3' ' OE1' ' A' ' 110' ' ' GLU . 21.5 ttpt -61.24 -37.71 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 106' ' ' THR . 2.1 mm-40 -46.36 -48.64 18.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' CYS . 97.3 t -70.52 -51.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.883 HG12 ' CD1' ' A' ' 21' ' ' TYR . 2.2 m -95.9 111.59 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -125.87 -25.92 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 115' ' ' PHE . 5.4 t-20 -64.07 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.1 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.534 ' HB2' ' NZ ' ' A' ' 82' ' ' LYS . . . -99.22 -68.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 26.1 tttt -158.44 165.26 35.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pp20? -86.81 128.38 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.485 ' CD2' HG23 ' A' ' 132' ' ' ILE . 8.0 m-30 -102.39 103.49 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.517 HG23 ' OE1' ' A' ' 118' ' ' GLU . 95.0 t -81.87 101.95 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.805 HG21 HD22 ' A' ' 127' ' ' LEU . 20.6 mt -112.86 142.81 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.25 -17.41 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -117.14 127.24 53.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -52.3 -37.82 56.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.37 -15.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.2 mt-10 -102.11 -19.34 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.97 -15.37 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.3 105.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.9 pt-20 -39.15 -34.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.42 -45.04 80.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.53 -38.97 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 31.1 mm -51.4 -49.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.95 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -40.07 -40.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 13.3 mm-40 -64.4 -62.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.67 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 74.0 mt -45.6 -47.57 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -47.72 -41.77 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -113.48 19.34 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -52.43 173.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.13 116.72 9.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -115.32 -105.28 2.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -161.7 176.23 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 144' ' ' TYR . 7.0 m120 -49.97 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.546 ' CD1' ' HB2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -114.95 119.19 35.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -115.88 19.52 15.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -51.55 -57.19 9.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -164.77 140.53 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.0 m -74.26 122.71 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 53.47 42.18 32.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -97.74 -44.18 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.07 112.42 1.69 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.63 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.56 120.71 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.8 m -110.64 149.54 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.1 mtm -53.24 128.97 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.22 -170.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.779 HG21 ' OD2' ' A' ' 104' ' ' ASP . 29.5 m -112.03 145.64 39.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -121.88 163.62 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.2 tt -127.41 148.83 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -85.26 46.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 13' ' ' ASP . 43.5 mttt -25.52 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.6 mt-10 -57.9 -60.43 3.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.16 -33.26 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.02 -54.67 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HA ' HG11 ' A' ' 111' ' ' VAL . 49.2 ttp180 -47.58 -35.38 9.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.64 -48.92 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -65.51 -45.11 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.674 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.1 t80 -62.1 -23.56 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 66.5 m-20 -86.53 -45.38 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 29' ' ' SER . 2.7 mm? -50.12 -17.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.591 ' CG2' HG13 ' A' ' 34' ' ' VAL . 16.3 t -107.52 -30.13 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 14.4 ptt85 -75.5 -30.75 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 18.7 t70 -54.58 167.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -53.7 -52.64 59.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.26 69.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.533 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 23' ' ' LEU . 11.6 m -82.23 20.57 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 110.818 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.0 26.91 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 48' ' ' GLN . 2.0 t -145.51 131.82 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG22 HH21 ' A' ' 70' ' ' ARG . 7.3 pt -120.14 -13.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.778 ' CB ' HG22 ' A' ' 69' ' ' VAL . 51.4 p-90 -142.49 141.73 32.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 48' ' ' GLN . 5.8 m -142.62 121.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -94.29 152.74 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 74.8 m-85 -132.35 98.78 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -100.86 174.71 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.425 ' CE1' HG12 ' A' ' 43' ' ' ILE . 72.3 m-85 -93.3 145.92 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.8 16.94 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.67 70.69 0.3 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.69 27.22 4.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 m -161.5 117.47 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.543 HD12 ' HB ' ' A' ' 12' ' ' ILE . 22.7 mt -64.68 139.55 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 12.1 m -156.24 141.67 12.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.752 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.8 Cg_exo -52.0 124.07 13.89 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.748 2.299 . . . . 0.0 112.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.6 -99.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -81.72 163.09 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.811 ' HG3' HG12 ' A' ' 34' ' ' VAL . 18.2 tt0 -160.27 139.92 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.05 169.51 34.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 13.39 33.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 4.4 t0 -112.53 103.13 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.5 t80 -52.3 -29.57 24.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.3 mp0 -69.56 -25.27 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.04 -30.12 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.524 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -75.08 -44.02 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 88.1 mt -65.4 -17.47 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.19 0.95 46.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -108.25 -33.61 7.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.5 m -76.07 116.08 16.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.452 ' OG1' HG12 ' A' ' 63' ' ' VAL . 80.0 p -134.89 175.73 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.0 m-20 -76.31 5.98 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 62' ' ' ASP . 24.5 t70 -120.86 19.64 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 65' ' ' LEU . 8.2 p -161.46 152.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.531 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.48 133.45 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.72 173.35 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.629 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.3 m-85 -89.91 162.43 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -149.3 106.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 70.0 t80 -92.02 106.77 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.778 HG22 ' CB ' ' A' ' 33' ' ' TRP . 91.1 t -114.34 145.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 6.8 ttp180 -94.3 131.75 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' CD1' HD11 ' A' ' 136' ' ' LEU . 44.8 m-85 -127.73 106.4 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.32 118.59 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.9 p -103.76 109.51 21.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -102.6 -29.89 5.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -50.95 -17.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.822 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' C ' ' SD ' ' A' ' 77' ' ' MET . . . -81.35 13.1 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 68.31 4.13 4.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.9 p -144.97 137.8 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -78.77 113.38 16.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -154.3 177.86 10.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 2.1 m -131.03 122.21 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.777 ' HG3' ' HB2' ' A' ' 116' ' ' ALA . 4.3 tppt? -98.77 -21.72 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 1.7 m-85 56.06 -171.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.821 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -176.74 127.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD21 HG12 ' A' ' 108' ' ' VAL . 3.6 tp -80.49 88.21 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 26.2 mt -73.52 103.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 87' ' ' THR . 5.4 m -88.31 99.91 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 56.7 t-105 -82.15 142.88 31.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 61.7 mt -149.15 100.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.875 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.71 132.01 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.61 0.76 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -116.75 -20.19 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.6 m -50.52 147.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.9 t -67.45 142.87 56.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.99 -59.49 0.59 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.4 tt -33.83 -69.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.492 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 11.6 mp0 -41.44 -46.22 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.54 -33.18 74.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.15 -15.94 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.605 ' HG2' HD23 ' A' ' 96' ' ' LEU . 5.6 mmpt? -95.37 -39.42 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -54.42 -39.2 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.66 -37.46 45.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.5 m -70.14 -32.11 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.779 ' OD2' HG21 ' A' ' 10' ' ' THR . 22.5 m-20 -84.69 5.7 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.82 -33.86 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m -59.52 -20.54 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -83.14 -48.92 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -63.11 -30.6 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -68.47 -33.41 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 2.7 mm-40 -48.79 -42.18 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 18' ' ' ARG . 85.6 t -86.58 -33.48 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 21' ' ' TYR . 75.7 t -102.57 93.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -120.58 -32.21 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.58 -21.13 65.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -59.04 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.777 ' HB2' ' HG3' ' A' ' 82' ' ' LYS . . . -95.49 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 13.7 tttp -160.63 163.56 32.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pp20? -88.13 123.53 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 132' ' ' ILE . 7.5 m-30 -99.02 100.58 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 120' ' ' VAL . 2.6 p -82.35 101.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.813 HG21 HD22 ' A' ' 127' ' ' LEU . 22.4 mt -109.76 145.55 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 p -119.68 -16.92 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.51 ' CG ' ' HZ3' ' A' ' 125' ' ' LYS . 3.9 t0 -119.01 127.19 53.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.481 ' HA ' HD23 ' A' ' 127' ' ' LEU . 24.5 mtm180 -52.43 -36.86 55.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.51 ' HZ3' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -53.83 -14.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 18.9 mt-10 -102.62 -17.4 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -68.19 -13.96 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.2 mt-10 -49.99 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' GLU . 7.0 pt-20 -36.53 -34.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.37 -48.69 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.98 -34.77 78.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.8 mm -62.45 -54.31 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -56.18 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 m -42.99 -37.88 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.86 -56.73 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.821 HD21 ' HB2' ' A' ' 84' ' ' ALA . 76.4 mt -50.89 -41.38 58.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -39.97 -45.71 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -96.42 -46.45 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 60.62 43.64 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.67 -173.91 38.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.68 45.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -133.53 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -140.66 116.13 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -116.64 -40.0 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -59.7 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.96 159.02 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 149' ' ' GLU . 95.5 p -146.37 163.06 36.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 148' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -68.77 100.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.82 166.36 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.84 130.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.91 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.6 136.09 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -137.26 162.41 33.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 mmt -57.98 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 170.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 m -152.84 147.31 25.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 42' ' ' THR . 10.0 mtpp -138.75 -179.23 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.61 152.67 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.7 t0 -91.13 43.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 13' ' ' ASP . 4.9 mtmp? -21.97 -50.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' ASP . 7.5 pt-20 -54.07 -56.97 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.64 -38.21 77.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.46 -59.03 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 19' ' ' ALA . 4.3 tmm_? -47.02 -41.04 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 23' ' ' LEU . . . -60.98 -47.47 86.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.91 81.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -66.47 -16.9 64.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -91.23 -38.61 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -57.62 -19.25 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.34 -37.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -73.74 -26.79 60.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -74.88 179.89 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -114.9 -5.07 12.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.28 -22.42 24.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.1 m -97.2 102.59 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.94 -20.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 HD23 ' A' ' 23' ' ' LEU . 3.9 t -49.95 136.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.94 -14.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 p-90 -142.33 144.82 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 48' ' ' GLN . 2.9 m -145.01 123.34 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -95.04 152.78 18.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 80.6 m-85 -130.59 97.29 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 174.16 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -94.64 147.48 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.9 t0 -119.96 14.85 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.22 75.98 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.84 22.92 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 11' ' ' LYS . 19.7 m -158.88 133.16 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.66 137.39 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 13' ' ' ASP . 32.7 m -149.84 140.92 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.6 Cg_exo -52.01 116.9 3.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.98 -112.33 0.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.67 166.8 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.7 tt0 -163.05 140.9 7.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.02 171.86 35.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.95 -16.15 21.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 22.9 t0 -83.62 104.87 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.6 ' HE2' HG11 ' A' ' 69' ' ' VAL . 4.6 t80 -54.94 -29.07 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -68.66 -21.61 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.07 -27.54 39.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.34 -41.88 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 56' ' ' ILE . 95.4 mt -68.63 -16.68 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -85.64 3.01 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -109.1 -30.69 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -78.63 116.03 18.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.478 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 21.4 p -132.88 177.98 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.72 7.47 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.28 20.03 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' LEU . 11.9 p -157.39 153.77 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.747 ' H ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -146.95 126.14 12.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -163.15 168.83 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 108' ' ' VAL . 7.5 m-85 -87.69 161.84 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -147.79 109.51 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 72.3 t80 -95.2 107.14 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.4 t -113.17 144.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' NH2' ' HB3' ' A' ' 81' ' ' SER . 14.9 ttt85 -93.57 133.89 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 14.4 m-85 -128.49 100.6 5.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 101.77 13.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.9 p -78.71 -51.51 9.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.8 63.4 3.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.94 -48.37 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.18 165.22 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 82.7 mmm -39.33 -58.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 t -74.29 107.4 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -98.86 123.97 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB3' ' NH2' ' A' ' 70' ' ' ARG . 5.0 p -88.82 122.47 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.825 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 18.9 mmmt -99.84 174.4 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 2.5 m-85 -163.0 161.08 25.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -157.35 129.39 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.74 HD21 ' CG1' ' A' ' 108' ' ' VAL . 7.2 tp -81.49 94.77 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.424 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt -75.0 99.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.8 m -81.64 100.61 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.2 t-105 -85.62 141.62 29.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.501 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 55.4 mt -147.97 100.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.746 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.35 136.29 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -77.93 9.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -116.07 -27.89 6.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 90' ' ' GLY . 28.2 m -51.07 146.09 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.204 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLY . 23.2 t -61.39 141.02 57.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -37.17 -52.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.0 tt -39.68 -67.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -39.88 -48.22 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -65.61 -33.72 76.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -75.9 -17.72 59.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -95.17 -38.33 10.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -56.68 -32.41 65.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.89 -32.2 57.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.5 m -77.82 -40.84 39.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.44 -9.15 55.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -58.67 -35.76 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.477 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 19.0 m -58.24 -23.13 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 107' ' ' LEU . 5.3 mt -77.31 -50.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.74 ' CG1' HD21 ' A' ' 85' ' ' LEU . 40.4 t -63.42 -30.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.449 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 1.5 tmmm? -65.91 -42.97 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LYS . 1.8 mm-40 -37.3 -39.33 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.3 -44.89 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 21' ' ' TYR . 89.0 t -90.58 98.73 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.17 -37.81 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 6.7 t30 -61.43 -29.18 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.05 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 -66.77 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 6.8 tttp -162.53 165.98 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -88.49 127.19 35.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.2 m-30 -101.28 106.75 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.441 HG23 ' OE2' ' A' ' 118' ' ' GLU . 64.6 t -83.38 100.44 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.847 HG21 HD22 ' A' ' 127' ' ' LEU . 31.5 mt -112.58 142.47 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.415 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.62 -17.14 8.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -117.14 126.9 53.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HA ' HD23 ' A' ' 127' ' ' LEU . 18.7 mtm180 -51.9 -35.6 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -53.46 -15.77 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.9 mt-10 -103.48 -16.09 15.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -69.1 -14.12 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' PHE . 10.1 mt-10 -50.0 106.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 47.1 tt0 -39.33 -35.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -56.91 -44.06 82.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 35.2 t80 -67.84 -36.49 80.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.415 HG23 ' CD2' ' A' ' 119' ' ' PHE . 34.3 mm -57.9 -48.75 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.98 -58.31 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.0 t -40.63 -39.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -67.4 -55.74 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 84' ' ' ALA . 95.3 mt -50.18 -37.75 36.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -48.1 -38.83 18.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' ALA . 2.5 pttm -112.43 18.09 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -35.83 -61.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.35 -105.38 1.89 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -175.17 166.46 38.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -42.07 -46.63 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.08 176.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 67.58 42.03 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -165.18 151.16 9.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.39 153.98 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -52.48 135.79 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.7 m -122.32 119.66 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -92.89 -29.07 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -53.04 -41.89 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.43 46.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.65 117.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -143.75 166.48 24.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 7' ' ' THR . 17.3 m 60.94 40.25 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 mmt -141.12 103.14 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.91 153.63 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.519 HG21 ' CG ' ' A' ' 104' ' ' ASP . 15.8 m -161.56 145.72 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -136.16 -179.79 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.3 tt -145.03 150.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -92.08 49.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 13' ' ' ASP . 28.8 mtpt -26.3 -43.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -56.84 -58.79 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -71.04 -32.88 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 111' ' ' VAL . 33.9 m -62.99 -52.8 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -51.6 -34.1 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.876 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -66.33 -47.33 73.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.575 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -67.33 -44.79 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.9 OUTLIER -67.27 -17.24 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.11 -43.42 9.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -53.29 -16.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.1 p -106.03 -39.7 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -28.94 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.71 159.88 33.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -104.97 18.95 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.66 3.73 6.55 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.67 ' OG ' HD13 ' A' ' 23' ' ' LEU . 2.0 m -113.27 107.07 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.711 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -38.85 -24.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 t -60.58 128.02 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -119.34 -15.62 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.9 p-90 -139.27 144.59 38.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.746 HG12 ' HG3' ' A' ' 48' ' ' GLN . 22.6 m -144.24 134.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -104.57 153.11 21.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -127.98 96.39 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.53 171.41 7.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CE2' HG12 ' A' ' 43' ' ' ILE . 81.8 m-85 -97.27 147.44 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -119.98 9.11 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 131.54 70.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.571 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.03 22.1 5.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -153.37 118.91 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 38' ' ' TYR . 32.1 mt -66.51 136.05 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG12 ' CG ' ' A' ' 13' ' ' ASP . 31.6 m -150.43 146.09 19.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.19 113.24 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.53 -99.59 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' OE1' ' A' ' 58' ' ' GLN . 10.6 m-20 -90.35 169.38 11.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.746 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.0 tt0 -163.65 139.99 6.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 171.82 38.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -94.06 -21.68 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 9.1 t0 -82.69 105.69 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.767 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.32 -27.69 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.2 mp0 -67.96 -23.43 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.11 -28.21 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.665 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.43 -42.3 44.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 86.4 mt -67.58 -17.19 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -85.28 2.02 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' OE1' ' OD1' ' A' ' 47' ' ' ASP . 11.9 mm-40 -107.34 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 60.3 m -75.81 116.59 16.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.857 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.8 p -130.19 172.07 12.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 4.9 p30 -77.18 0.4 21.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -119.64 18.2 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.1 p -153.06 152.47 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.541 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -144.17 136.52 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -173.45 164.78 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 108' ' ' VAL . 15.8 m-85 -81.44 158.05 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -146.91 101.46 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 24' ' ' VAL . 6.9 t80 -90.18 118.26 29.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' A' ' 52' ' ' TYR . 29.9 t -121.77 143.64 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.545 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 ttt180 -96.82 120.23 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -114.26 103.4 11.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.2 154.68 4.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.2 p -152.11 157.62 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -155.11 -140.35 2.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.28 42.84 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' MET . . . -153.54 169.55 22.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' ALA . 7.9 tpt -36.18 -48.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.4 m -130.37 168.69 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -91.23 143.03 27.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -151.62 177.33 10.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -130.41 147.29 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 27.1 mmmt -111.36 174.18 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.545 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 3.7 m-85 -157.93 173.32 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.746 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -171.57 125.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 118' ' ' GLU . 11.1 tp -76.0 90.58 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 121' ' ' ILE . 18.4 mt -70.47 100.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.1 m -85.78 101.22 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.5 t-105 -84.72 143.52 29.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 90' ' ' GLY . 59.9 mt -150.2 99.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.26 138.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.94 11.16 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.45 -28.59 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 90' ' ' GLY . 33.9 m -50.46 146.39 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 40.5 t -63.37 145.01 56.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -34.71 -58.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' ALA . 6.5 tp -33.97 -70.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' OE1' ' NE ' ' A' ' 64' ' ' ARG . 1.7 mm-40 -38.97 -39.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -77.07 -33.46 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.54 -17.4 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -96.91 -50.33 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.8 m -47.21 -32.35 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.11 -27.95 51.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.4 m -79.55 -33.83 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.519 ' CG ' HG21 ' A' ' 10' ' ' THR . 73.1 m-20 -77.83 -2.21 35.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -59.62 -37.17 77.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.521 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 22.6 m -55.52 -23.29 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 107' ' ' LEU . 5.0 mt -79.02 -49.87 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 66' ' ' PHE . 33.7 t -63.34 -31.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -66.54 -39.65 88.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.46 -42.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 17' ' ' CYS . 75.7 t -80.49 -48.67 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.53 ' HB ' ' CD2' ' A' ' 21' ' ' TYR . 2.6 p -100.43 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -119.88 -29.66 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.2 t30 -63.69 -26.36 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -52.61 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.27 -66.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 1.8 ttmt -164.91 157.04 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 5.2 pt-20 -84.87 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CD2' HG23 ' A' ' 132' ' ' ILE . 10.5 m-30 -108.85 106.9 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.2 t -82.73 100.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.742 HG21 HD22 ' A' ' 127' ' ' LEU . 23.6 mt -110.94 144.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.441 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -118.41 -18.88 9.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -114.55 124.68 52.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 127' ' ' LEU . 16.3 mtm105 -51.75 -35.52 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -15.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.507 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -102.66 -15.88 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -68.71 -14.72 63.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.4 mt-10 -49.95 105.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 41.9 tt0 -37.11 -34.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -56.69 -47.3 80.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 128' ' ' GLU . 51.9 t80 -66.36 -36.77 83.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.473 HG23 ' CD2' ' A' ' 119' ' ' PHE . 32.0 mm -56.82 -52.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -58.6 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.4 m -41.01 -44.49 2.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 139' ' ' ALA . 5.4 mm-40 -59.85 -61.78 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 84' ' ' ALA . 56.9 mt -42.82 -42.65 3.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -48.78 -40.67 29.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.38 6.41 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -49.85 110.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -106.75 -116.12 4.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.432 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 67.92 45.55 72.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 55.22 44.09 28.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 111.072 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 143' ' ' ASN . 21.0 p-10 -81.03 101.52 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.85 179.43 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -88.21 143.68 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.11 140.08 32.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -132.75 144.48 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.4 m -150.34 128.84 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.921 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m 54.68 40.8 32.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -100.03 -42.97 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.58 113.39 5.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.5 -43.81 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.52 62.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.713 HG22 ' H ' ' A' ' 8' ' ' MET . 0.2 OUTLIER 69.69 -170.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.713 ' H ' HG22 ' A' ' 7' ' ' THR . 1.7 ttt -156.39 172.84 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.67 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -71.92 151.56 43.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -133.04 168.42 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 13.1 tt -134.18 143.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.9 m-20 -82.45 44.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.5 mtmp? -22.53 -49.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.5 pt-20 -53.33 -58.91 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -67.89 -35.2 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.13 -62.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -43.56 -38.37 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.076 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.46 -45.8 85.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.3 t80 -60.64 -21.09 62.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -88.58 -44.86 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.7 mm? -52.18 -18.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 HG12 ' A' ' 31' ' ' VAL . 20.7 t -104.99 -40.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 114' ' ' ASN . 3.9 ttt85 -65.83 -32.81 74.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -70.4 124.93 25.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.4 2.32 5.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.41 -7.91 47.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 2.1 m -107.1 109.96 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.07 -31.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' CD ' ' A' ' 48' ' ' GLN . 2.1 t -50.07 132.18 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -120.77 -16.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 43.3 p-90 -140.03 156.78 46.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.3 p -155.23 139.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 p -110.5 151.35 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 m-85 -129.18 97.9 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -97.81 172.19 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 43' ' ' ILE . 89.1 m-85 -91.85 147.07 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.3 t0 -119.89 17.6 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.76 73.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.82 24.21 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -158.05 123.75 4.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.642 HD13 ' CG2' ' A' ' 108' ' ' VAL . 24.7 mt -70.78 133.88 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.7 m -148.46 147.14 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.06 117.22 3.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.279 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.09 -104.57 1.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 18.9 m-20 -86.81 167.71 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.612 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.3 tt0 -168.21 150.47 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.93 174.83 38.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.41 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.25 -12.69 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.14 104.51 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 4.2 t80 -53.12 -29.51 31.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -69.33 -23.32 63.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -77.44 -27.85 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.11 -45.95 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 90.8 mt -63.62 -21.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.59 1.38 29.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 15.2 mm-40 -105.31 -45.87 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HB2' ' CD1' ' A' ' 88' ' ' TRP . 4.9 p -67.99 116.11 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.508 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 26.1 p -129.35 -179.75 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.89 3.26 20.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.08 18.61 12.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 65' ' ' LEU . 7.3 p -156.46 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -147.88 123.73 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.13 165.03 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -84.8 155.1 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.25 103.54 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 78.2 t80 -89.51 111.84 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 10.8 t -117.53 145.55 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 2.3 ttp180 -90.17 131.41 36.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 65.3 m-85 -131.13 104.98 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' THR . 29.9 p -44.43 -46.43 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' THR . 62.5 p 44.32 -170.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 161.12 125.88 0.8 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 7.0 m-20 -109.05 17.72 21.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 75' ' ' ASP . . . 69.8 -1.86 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -91.82 -54.25 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -148.43 110.6 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.85 107.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -168.2 135.57 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -55.37 147.74 16.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 21.3 mtpp -115.07 -29.55 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 20.4 m-85 62.58 -175.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.768 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.02 126.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 12.9 tp -87.47 93.85 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG23 HD12 ' A' ' 121' ' ' ILE . 19.5 mt -76.97 103.71 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 119' ' ' PHE . 16.6 m -84.8 100.82 11.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.582 ' CD1' ' HB2' ' A' ' 59' ' ' CYS . 58.6 t-105 -81.92 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.904 HG21 ' HG2' ' A' ' 98' ' ' ARG . 75.2 mt -153.98 99.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.24 136.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.439 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.54 6.14 15.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.56 -21.18 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.473 HG11 ' HD2' ' A' ' 64' ' ' ARG . 2.6 t -50.69 159.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 24.7 t -74.46 134.66 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.86 -47.9 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.466 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.585 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.9 tt -55.03 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.449 ' HB2' HG12 ' A' ' 93' ' ' VAL . 11.6 mt-30 -51.96 -37.87 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.904 ' HG2' HG21 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -75.26 -29.25 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.41 -9.28 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' CG ' HD23 ' A' ' 96' ' ' LEU . 9.2 mmpt? -92.25 -39.88 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -55.99 -40.63 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.59 89.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.8 m -72.0 -38.73 69.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.3 m-20 -73.7 -7.06 50.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -58.48 -35.42 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -57.56 -23.92 53.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 107' ' ' LEU . 3.3 mt -80.67 -51.55 8.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 66' ' ' PHE . 43.8 t -60.74 -31.49 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -66.83 -38.26 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.78 -38.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.58 -43.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 21' ' ' TYR . 80.4 t -93.19 99.49 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -123.05 -32.03 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 25' ' ' ARG . 2.5 p-10 -67.79 -26.84 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.49 -170.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.615 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.6 tttp -161.15 163.65 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -88.19 123.56 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.8 m-30 -99.2 101.67 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 120' ' ' VAL . 3.3 p -82.33 100.49 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 127' ' ' LEU . 33.7 mt -109.54 143.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 p -119.8 -16.76 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.8 126.37 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -50.84 -36.64 38.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.59 -16.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.7 mt-10 -103.58 -19.09 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -66.44 -13.77 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' PHE . 6.9 mt-10 -50.32 106.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 31.4 tt0 -38.77 -36.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -55.57 -44.45 76.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.51 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 41.0 t80 -68.15 -35.25 77.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.6 mm -59.2 -49.87 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -49.76 -60.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 t -39.34 -41.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.19 -57.49 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 84' ' ' ALA . 67.6 mt -54.75 -37.83 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -51.04 -40.45 58.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -115.81 19.53 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -31.78 -65.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 70.29 131.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.6 0.95 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -123.93 108.37 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -67.06 145.75 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -94.35 139.28 31.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -43.41 42.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -38.73 -49.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -70.67 124.43 24.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 27.4 m -83.54 141.49 31.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -83.0 -52.49 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 pm0 -79.01 167.94 20.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 67.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.3 140.16 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.13 137.94 32.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.8 p -99.13 172.67 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -48.52 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 173.76 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.6 m -156.19 141.49 17.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.193 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 4.1 mmpt? -118.75 165.74 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 15.7 tt -129.66 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -91.9 44.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.6 mtpp -22.13 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.1 mt-10 -55.93 -61.31 2.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -63.98 -31.84 73.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 m -65.47 -55.56 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -40.08 -40.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.805 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.2 -51.6 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -64.22 -45.45 88.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.0 t80 -62.21 -21.26 64.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -91.45 -42.88 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.6 mm? -50.36 -16.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 70' ' ' ARG . 2.1 p -112.14 -37.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ttt180 -67.02 -31.07 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 17.1 t70 -60.61 169.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -56.92 -60.81 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.89 72.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.759 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.2 m -82.08 19.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.07 15.12 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' H ' ' A' ' 49' ' ' GLY . 58.4 t -140.41 128.92 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 pt -112.63 -11.33 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.529 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 40.4 p-90 -143.8 145.66 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.747 HG12 ' HG2' ' A' ' 48' ' ' GLN . 33.1 m -147.43 130.24 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -99.93 158.44 15.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 63.0 m-85 -134.24 95.48 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -99.93 172.19 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 43' ' ' ILE . 69.9 m-85 -92.82 143.18 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -116.73 14.22 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.58 73.57 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 22.2 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -157.44 120.9 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 38' ' ' TYR . 13.8 mt -69.74 139.84 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG12 ' CG ' ' A' ' 13' ' ' ASP . 11.8 m -154.69 149.74 20.52 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 120.1 6.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.42 -97.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.94 176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.747 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.6 mt-30 -159.18 155.83 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' HG13 ' A' ' 31' ' ' VAL . . . 158.62 164.85 14.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.62 -16.74 28.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.02 103.44 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.699 ' HE2' HG11 ' A' ' 69' ' ' VAL . 6.1 t80 -54.77 -26.53 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -68.41 -21.97 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -78.97 -28.08 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.78 -42.55 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.75 -17.68 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -84.07 1.92 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -108.12 -30.25 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 61.4 m -76.7 115.73 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.541 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.5 p -130.29 172.37 11.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.7 p-10 -75.64 2.54 11.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -120.18 19.77 12.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.578 HG22 HD12 ' A' ' 65' ' ' LEU . 9.1 p -156.08 152.93 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.24 135.24 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.9 166.77 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 12.7 m-85 -82.07 157.2 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -143.83 102.46 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 24' ' ' VAL . 9.1 t80 -91.56 114.89 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.699 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.1 t -120.72 144.7 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB2' HG22 ' A' ' 24' ' ' VAL . 21.9 ttt180 -99.9 116.91 33.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 18.1 m-85 -108.65 101.18 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -82.72 100.0 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 t -119.84 -30.87 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.215 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.91 -66.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.29 6.4 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.54 176.41 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -61.06 -59.7 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -53.0 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -89.26 116.53 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -100.26 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 p -151.54 140.89 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 26.6 mtpt -104.85 170.35 7.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -159.05 169.69 23.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -167.7 134.52 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.2 92.07 6.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 19.5 mt -73.8 100.14 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 m -84.45 100.05 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.584 ' CH2' ' O ' ' A' ' 122' ' ' SER . 59.6 t-105 -84.2 138.1 33.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 48.7 mt -146.23 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.968 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.39 122.01 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -3.0 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -108.8 -22.75 12.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 90' ' ' GLY . 19.2 m -53.66 150.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 66.4 m -58.52 131.84 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.53 -54.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 99' ' ' ALA . 2.9 tt -39.36 -65.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -38.83 -44.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.3 tmt_? -68.97 -37.12 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -70.14 -17.42 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -41.8 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -51.83 -38.13 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.34 71.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -73.41 -36.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 m-20 -73.21 -3.49 27.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HD3' ' CD ' ' A' ' 118' ' ' GLU . 6.3 ttpt -67.52 -32.98 74.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.5 m -52.08 -24.23 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -83.18 -52.9 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 66' ' ' PHE . 20.9 t -59.37 -29.21 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.8 -29.88 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 21.7 mm-40 -50.23 -48.23 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.431 HG13 HG23 ' A' ' 112' ' ' VAL . 7.6 p -80.11 -39.19 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.764 HG22 ' CD1' ' A' ' 21' ' ' TYR . 37.3 t -96.99 99.17 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.83 -36.32 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.7 m120 -61.81 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -51.92 -172.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.33 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 16.3 tttt -160.89 164.97 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pt-20 -88.1 130.32 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.553 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.0 m-30 -102.78 100.4 10.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.76 102.35 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.757 HG21 HD22 ' A' ' 127' ' ' LEU . 32.8 mt -115.12 146.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.584 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.48 -21.85 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.77 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -53.74 -33.46 55.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 19.9 mmtt -53.92 -18.71 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 15.8 mt-10 -101.82 -13.85 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.757 HD22 HG21 ' A' ' 121' ' ' ILE . 3.7 mm? -70.54 -15.65 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' PHE . 5.7 mt-10 -50.05 106.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -36.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 1.2 p30 -55.49 -46.09 76.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 56.6 t80 -66.57 -36.03 81.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.553 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.3 mm -55.27 -50.39 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -51.51 -58.94 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -40.47 -38.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.23 -60.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 84' ' ' ALA . 96.5 mt -42.41 -38.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -53.28 -40.91 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -115.76 19.4 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -34.75 -50.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.91 78.09 0.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -174.58 70.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -117.06 161.78 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.16 101.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -39.52 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -46.38 -45.39 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 44.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.9 m -50.85 -54.08 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -80.81 -44.89 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -51.58 129.72 26.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.51 17.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.01 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 154.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.8 m -139.62 118.74 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -60.66 171.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 69.77 -170.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.513 HG21 ' OD2' ' A' ' 104' ' ' ASP . 14.9 m -162.14 146.46 12.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -136.27 -179.08 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 tt -145.33 138.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.541 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.1 m-20 -81.53 47.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 13' ' ' ASP . 65.8 mttt -25.56 -48.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ASP . 10.3 pt-20 -53.32 -54.53 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -72.36 -34.0 67.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -62.31 -60.59 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 47.7 ttp180 -44.96 -42.46 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.86 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.028 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.47 -40.1 95.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -22.2 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 50.1 m-20 -86.16 -46.92 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD13 ' OG ' ' A' ' 29' ' ' SER . 2.5 mm? -48.0 -20.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.5 p -104.72 -27.61 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -77.64 -25.6 49.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -75.98 172.21 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -108.47 -15.55 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.34 0.23 77.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.714 ' OG ' HD13 ' A' ' 23' ' ' LEU . 2.5 m -110.81 104.95 13.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -43.12 -20.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' SER . 92.8 t -57.16 130.34 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 pt -119.97 -14.58 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 51.0 p-90 -142.72 163.8 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.7 p -161.88 140.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 p -109.43 155.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 83.1 m-85 -133.67 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -99.97 175.76 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 43' ' ' ILE . 53.2 m-85 -100.4 146.74 26.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -121.05 17.9 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.39 66.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 26.47 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -155.73 112.63 3.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 38' ' ' TYR . 17.9 mt -63.19 139.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.6 m -155.35 142.72 13.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.13 107.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.767 2.312 . . . . 0.0 112.258 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.02 -96.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -92.37 169.66 10.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 27.2 tt0 -169.97 146.82 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.38 176.68 41.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -93.37 -27.16 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 106.96 12.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.76 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.9 t80 -54.38 -27.15 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.4 mp0 -67.01 -23.61 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -76.79 -28.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -76.12 -45.3 34.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.02 -19.35 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.18 0.84 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -107.71 -30.36 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.8 m -76.89 116.0 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.632 ' OG1' HG12 ' A' ' 63' ' ' VAL . 39.6 p -134.43 172.81 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.18 5.12 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.01 17.11 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -155.77 161.18 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.554 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -152.54 124.94 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.52 169.8 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.1 m-85 -88.23 154.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -141.9 109.82 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 29.2 t80 -94.27 109.97 21.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HE2' ' A' ' 52' ' ' TYR . 55.6 t -113.07 140.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 43.2 ttt-85 -89.43 124.37 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.632 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 37.9 m-85 -122.52 104.7 9.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -58.19 -12.9 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -50.25 142.48 9.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.81 -147.27 5.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 19.5 t0 -167.89 126.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 75' ' ' ASP . . . 68.79 -170.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.6 mtp -44.89 -44.39 9.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -69.86 126.07 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -135.66 102.18 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -145.29 161.52 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 96.8 p -64.88 136.39 56.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 1.6 mptp? -117.28 -31.23 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 14.9 m-85 65.43 -171.16 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -178.97 125.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.2 tp -81.39 85.63 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.686 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -69.81 105.29 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 83.5 m -90.8 99.84 12.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 58.1 t-105 -81.36 144.96 31.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.874 HG21 ' HG2' ' A' ' 98' ' ' ARG . 72.4 mt -151.42 101.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -36.11 133.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.43 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.07 -10.6 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.79 -22.55 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 97' ' ' GLN . 7.3 t -50.76 149.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.4 t -65.94 132.8 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.58 -39.47 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.423 HD23 ' HG3' ' A' ' 100' ' ' LYS . 6.1 tt -59.08 -65.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB2' HG12 ' A' ' 93' ' ' VAL . 10.6 mm-40 -50.15 -35.65 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.874 ' HG2' HG21 ' A' ' 89' ' ' ILE . 6.5 tmm_? -74.95 -27.1 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.34 49.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 5.5 mmpt? -92.38 -41.8 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.5 m -51.84 -39.78 59.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.04 77.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.6 m -75.15 -36.88 61.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.513 ' OD2' HG21 ' A' ' 10' ' ' THR . 2.4 m-20 -74.77 -1.09 20.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.19 -35.49 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.3 m -54.09 -24.23 16.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -81.46 -49.48 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 66' ' ' PHE . 94.1 t -60.17 -34.41 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -64.28 -37.07 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.43 -28.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.4 t -98.22 -34.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -102.35 99.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.93 -27.49 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.38 15.93 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -96.78 -166.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -91.67 -69.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 12.6 tttp -168.13 161.35 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 2.8 pt-20 -81.55 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -107.28 100.36 9.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.6 t -79.19 100.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 127' ' ' LEU . 16.2 mt -112.3 140.16 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.492 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -116.88 -19.13 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -114.06 125.09 53.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -51.1 -38.12 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -50.87 -16.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 8.8 mt-10 -102.04 -19.96 14.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.768 HD22 HG21 ' A' ' 121' ' ' ILE . 2.2 mm? -66.12 -15.46 63.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 106.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.778 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -38.85 -35.9 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -67.09 -37.38 83.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.494 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 27.6 mm -54.3 -47.83 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -58.2 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.2 t -40.99 -34.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -71.03 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 84' ' ' ALA . 68.8 mt -46.21 -34.43 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -43.35 -35.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -39.86 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.5 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.063 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 179.59 40.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -146.29 -54.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.01 106.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -99.2 -48.09 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -55.96 128.03 33.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -108.42 171.55 7.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.44 127.48 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -125.28 164.2 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.5 m -139.18 161.43 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -69.11 100.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -94.03 158.49 15.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -175.86 -133.05 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 69.33 0.42 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.093 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 16.14 22.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 8' ' ' MET . 7.5 m -78.44 158.97 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -83.91 11.47 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 68.32 -169.94 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.3 m -134.89 142.48 46.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.517 ' C ' HG23 ' A' ' 42' ' ' THR . 7.7 mmmm -119.7 166.8 12.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' THR . 12.8 tt -140.81 144.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -83.01 44.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.6 mtpt -25.46 -43.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.2 mt-10 -58.23 -59.85 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.8 -31.61 70.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.74 -55.11 19.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HA ' HG11 ' A' ' 111' ' ' VAL . 38.0 ttp180 -48.89 -32.33 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.31 -48.34 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.73 -42.84 85.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -68.54 -15.72 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 22.7 m-20 -88.61 -36.39 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB3' HG11 ' A' ' 31' ' ' VAL . 1.5 mm? -58.69 -27.14 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 31' ' ' VAL . 55.7 t -95.39 -29.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 11.8 ptt85 -75.01 -25.15 58.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.14 169.35 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' GLY . 2.6 t0 -62.43 98.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . 32.15 70.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.94 36.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.727 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 71.12 18.21 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.902 HG21 ' HG2' ' A' ' 48' ' ' GLN . 2.6 p -154.48 141.61 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -123.13 -10.51 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.8 p-90 -145.6 143.17 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.002 HG12 ' HG3' ' A' ' 48' ' ' GLN . 30.7 m -142.3 122.48 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 67' ' ' ALA . 5.4 p -93.89 153.0 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 82.1 m-85 -132.81 99.58 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 43' ' ' ILE . 86.6 m-85 -94.01 146.39 23.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -116.14 15.14 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.17 -85.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.98 13.24 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 11' ' ' LYS . 29.9 m -155.38 147.75 23.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.2 mt -82.99 145.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 13' ' ' ASP . 30.5 m -152.0 150.47 25.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.726 0.774 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.94 118.94 4.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.793 2.329 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.76 -90.69 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 172.79 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 1.002 ' HG3' HG12 ' A' ' 34' ' ' VAL . 5.1 tt0 -162.83 128.75 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 33' ' ' TRP . . . -175.32 163.74 33.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -21.27 23.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.705 0.288 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -81.04 108.99 15.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.85 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.4 t80 -55.96 -29.69 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 32.7 mm-40 -68.09 -20.25 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -80.78 -26.07 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -78.8 -41.17 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.56 -17.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -82.99 1.01 42.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -107.95 -28.32 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.3 m -80.45 117.81 21.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.532 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.0 p -134.94 171.23 14.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 84.0 m-20 -74.0 1.95 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -120.03 19.82 12.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.56 HG22 HD12 ' A' ' 65' ' ' LEU . 11.0 p -157.01 155.14 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -148.21 134.22 19.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.41 166.93 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.749 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.7 m-85 -87.38 161.18 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 35' ' ' THR . . . -150.61 112.25 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 80.2 t80 -94.1 110.12 21.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 15.2 t -115.29 141.69 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -92.67 131.83 37.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.648 ' CD1' HD11 ' A' ' 136' ' ' LEU . 40.2 m-85 -126.91 113.01 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 118.5 17.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.1 p -95.97 114.23 25.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -167.92 133.17 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 -66.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.97 -73.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.1 mtm -119.91 -12.32 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.423 ' C ' ' HD2' ' A' ' 79' ' ' LYS . 1.4 t -63.47 137.26 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 78' ' ' SER . 5.5 mptt -143.09 116.21 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -152.11 176.48 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.3 p -140.61 129.05 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 14.5 mtpt -118.44 -21.88 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 8.5 m-85 58.98 -170.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.94 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -177.03 127.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 7.4 tp -84.92 90.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 20.0 mt -74.87 100.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.1 m -86.52 100.37 12.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.531 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.5 t-105 -81.83 144.58 30.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 67.3 mt -150.97 99.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.77 129.68 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.81 -17.36 62.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 19.7 t70 -94.57 -18.78 21.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 97' ' ' GLN . 17.7 t -51.08 145.15 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 95' ' ' GLY . 32.3 t -65.08 133.93 52.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.24 -39.01 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 100' ' ' LYS . 2.0 tm? -56.93 -60.82 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.584 ' HB2' HG12 ' A' ' 93' ' ' VAL . 3.6 mm-40 -57.19 -36.04 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.2 ttp85 -72.57 -33.39 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.53 -5.07 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.25 -44.89 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.1 m -52.06 -34.97 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.46 -36.43 77.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 m -70.22 -39.69 74.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 36.5 m-20 -74.92 -4.33 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 2.9 ttpm? -62.45 -34.82 77.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.5 m -55.59 -23.15 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.3 mt -79.24 -48.14 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.749 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.5 t -64.11 -34.41 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.91 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -48.94 -40.84 31.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.531 HG11 ' HA ' ' A' ' 18' ' ' ARG . 80.9 t -85.39 -40.3 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 21' ' ' TYR . 87.9 t -96.8 96.07 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.98 -36.89 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.661 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.87 -170.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.773 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -91.97 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.661 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.7 tttp -160.12 164.32 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.0 pm0 -88.05 121.93 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -98.71 101.45 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.3 t -80.21 100.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 127' ' ' LEU . 10.6 mt -112.76 139.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.485 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 1.5 m -119.39 -15.28 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -118.49 127.79 53.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -52.57 -36.51 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.78 -16.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 mt-10 -103.65 -17.36 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -67.75 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLU . 11.2 mt-10 -50.22 103.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 26.1 tt0 -36.09 -35.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.67 -48.84 69.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 23.9 t80 -66.92 -35.83 80.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.5 mm -59.43 -53.17 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -57.75 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.1 t -41.07 -41.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 139' ' ' ALA . 7.2 mm-40 -62.44 -63.04 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.94 HD21 ' HB2' ' A' ' 84' ' ' ALA . 87.3 mt -41.48 -41.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -50.37 -41.35 51.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -115.58 5.06 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -50.13 146.79 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.08 -151.34 9.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.437 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.42 171.15 45.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -102.29 125.47 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -85.07 130.66 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.31 161.01 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -150.67 137.57 19.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 147' ' ' GLN . . . -85.38 -45.57 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 146' ' ' ALA . 4.9 pt20 49.49 30.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.6 p -83.49 158.97 21.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -84.89 18.94 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -55.15 -60.65 3.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.07 112.59 3.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.76 124.43 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 101.3 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -146.01 145.5 30.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.0 mmm -40.82 -60.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.73 159.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -104.69 139.02 40.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -118.47 168.72 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 14.7 tt -136.07 139.86 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.8 m-20 -80.73 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.0 mtpp -25.34 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -53.3 -55.4 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -73.52 -33.04 64.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 27.0 m -61.3 -59.91 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -47.82 -37.34 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.79 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.34 -49.33 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.89 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -63.09 -18.0 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.401 ' HA ' HD21 ' A' ' 22' ' ' ASN . 5.6 m120 -91.06 -39.72 12.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.1 mm? -55.97 -19.57 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' A' ' 31' ' ' VAL . 2.9 t -103.47 -39.44 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -69.93 -29.77 67.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.05 151.66 47.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -95.18 18.89 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.32 -10.93 6.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 2.3 m -107.71 113.0 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -49.06 -19.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.691 HG12 ' CG2' ' A' ' 24' ' ' VAL . 15.5 t -52.97 131.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -120.67 -17.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.707 ' CB ' HG22 ' A' ' 69' ' ' VAL . 55.8 p-90 -137.39 146.77 44.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.736 HG12 ' HG3' ' A' ' 48' ' ' GLN . 7.0 m -146.64 118.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 p -91.32 152.3 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 84.1 m-85 -130.41 97.73 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -97.78 172.81 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.83 146.88 23.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -119.31 14.14 12.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.97 73.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.85 25.89 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -160.34 126.2 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.457 HD13 HG23 ' A' ' 108' ' ' VAL . 18.0 mt -73.56 132.66 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 m -147.79 144.69 19.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.556 0.694 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.7 Cg_exo -52.05 122.17 10.08 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.723 2.282 . . . . 0.0 112.273 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.59 -102.0 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 173.31 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.736 ' HG3' HG12 ' A' ' 34' ' ' VAL . 12.9 tt0 -167.01 137.15 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 174.88 169.14 36.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -93.45 -16.93 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.45 105.85 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.42 -28.49 44.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.68 -20.51 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -82.06 -26.6 33.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -78.74 -41.65 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 56' ' ' ILE . 90.4 mt -68.64 -17.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.065 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -85.12 2.6 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -110.3 -26.92 9.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 62.3 m -81.56 113.25 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.472 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 4.1 p -128.12 179.42 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.98 2.01 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -119.49 19.29 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 65' ' ' LEU . 13.8 p -154.65 158.4 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.75 128.2 10.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -164.2 162.87 22.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG21 ' A' ' 108' ' ' VAL . 19.4 m-85 -79.43 160.56 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.82 103.29 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 34' ' ' VAL . 70.4 t80 -90.34 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 33' ' ' TRP . 96.7 t -114.26 143.36 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 25.9 ttt-85 -94.24 129.1 41.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 73' ' ' THR . 37.3 m-85 -125.68 103.39 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' NH2' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -56.26 105.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 71' ' ' PHE . 2.5 t -160.15 99.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.78 137.22 8.71 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 76' ' ' ALA . 8.4 t0 -165.95 179.96 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.652 ' C ' ' O ' ' A' ' 75' ' ' ASP . . . 10.92 -83.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -99.55 -32.65 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.4 m -59.08 154.14 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 80' ' ' ARG . 28.0 mtmt -106.6 158.95 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -33.53 -55.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.7 m -124.74 135.13 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.716 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 25.5 mmmt -111.66 -28.85 7.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 10.1 m-85 57.94 -170.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.01 127.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 HG12 ' A' ' 108' ' ' VAL . 9.9 tp -85.78 87.35 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 121' ' ' ILE . 18.8 mt -72.32 104.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 119' ' ' PHE . 17.8 m -88.02 99.99 12.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.6 t-105 -79.83 144.33 33.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.765 HG21 ' HG3' ' A' ' 98' ' ' ARG . 68.1 mt -151.4 100.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.484 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.59 134.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.59 -9.55 58.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.49 -21.5 14.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' HA3' ' A' ' 90' ' ' GLY . 17.2 t -50.54 148.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 33.1 t -70.07 131.74 44.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -32.35 -39.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' SER . 1.6 tm? -52.59 -62.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.468 ' HB2' HG12 ' A' ' 93' ' ' VAL . 9.8 mm100 -59.02 -35.38 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.765 ' HG3' HG21 ' A' ' 89' ' ' ILE . 36.8 ttt180 -73.38 -26.52 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -89.77 -8.47 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 -43.58 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -50.42 -36.35 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.75 -33.57 76.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.3 m -73.77 -40.15 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 13.5 m-20 -68.05 -3.3 9.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HD2' ' CD ' ' A' ' 118' ' ' GLU . 5.2 ttpp -66.3 -32.41 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -54.32 -23.79 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER -84.96 -53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 66' ' ' PHE . 99.7 t -56.96 -34.14 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -65.2 -32.56 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 24.2 mm-40 -48.02 -41.08 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.3 t -84.87 -42.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 21' ' ' TYR . 98.5 t -93.34 98.41 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -124.72 -31.12 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 115' ' ' PHE . 12.3 t-20 -69.83 -25.75 63.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.83 -170.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.716 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -95.38 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 7.3 tttm -161.52 161.19 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 9.4 pt-20 -84.69 133.33 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.4 m-30 -107.66 100.02 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.14 100.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.817 HG21 HD22 ' A' ' 127' ' ' LEU . 23.5 mt -114.35 142.58 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.455 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.64 -16.78 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -117.25 126.45 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -51.44 -36.9 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -16.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.2 mt-10 -102.98 -18.64 14.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.817 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -66.92 -14.27 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.33 106.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 10.3 pm0 -39.88 -31.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.461 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 25.6 m-20 -58.13 -45.12 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.32 -37.21 80.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.37 -50.75 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -59.44 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 t -39.13 -38.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.15 -59.52 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.643 HD11 ' CD2' ' A' ' 71' ' ' PHE . 97.1 mt -48.74 -42.07 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -50.29 -42.84 53.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 139' ' ' ALA . 34.7 pttt -106.5 19.76 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -34.06 -50.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.9 -159.21 9.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 150.11 144.57 3.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -164.15 117.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -108.89 129.48 55.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.04 -7.1 17.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.89 168.9 18.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -158.27 119.81 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.6 m 61.73 -169.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -116.22 19.85 14.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.26 103.02 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.93 118.85 6.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.58 161.11 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.323 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.59 99.98 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.6 p -147.08 135.37 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tpt -78.46 -43.86 26.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.79 121.17 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.557 HG21 ' CG ' ' A' ' 104' ' ' ASP . 27.3 m -99.74 146.08 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -124.98 166.28 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.546 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.3 tt -128.97 145.54 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.6 t0 -78.69 44.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.1 mttt -22.94 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -55.93 -57.69 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.97 -37.64 78.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 53.3 m -59.79 -59.58 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HA ' HG11 ' A' ' 111' ' ' VAL . 17.6 ttp180 -44.75 -40.92 6.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.558 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.24 -49.64 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.23 -45.28 88.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.9 t80 -62.19 -20.79 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -90.94 -43.15 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.71 -18.63 3.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' VAL . 55.1 t -105.7 -39.76 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.8 OUTLIER -68.71 -32.62 72.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -66.42 136.95 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -82.61 17.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.76 -6.26 10.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.8 m -108.64 110.7 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.36 -32.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 24' ' ' VAL . 2.9 t -45.98 130.45 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 pt -119.72 -12.48 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.6 p-90 -145.61 161.83 38.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.015 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.2 p -160.94 138.99 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.006 0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p -110.84 151.94 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 55.1 m-85 -130.42 96.88 4.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -99.25 171.86 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 43' ' ' ILE . 66.4 m-85 -93.48 149.16 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' VAL . 4.6 t0 -119.44 14.3 12.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.84 74.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.81 23.35 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -159.7 125.26 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.3 mt -68.11 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 39' ' ' ASP . 34.2 m -155.75 141.39 12.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_exo -52.05 113.47 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.32 -108.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -84.13 171.39 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.4 tt0 -172.26 139.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.14 -177.24 47.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 4.23 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.9 t70 -107.97 100.29 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.722 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.1 t80 -51.33 -29.45 15.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -67.96 -31.99 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -68.89 -36.05 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.02 -40.2 90.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.58 -18.4 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -80.47 -1.67 42.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -106.6 -33.31 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -76.22 113.7 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.452 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.1 p -131.9 178.18 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 16.9 m-20 -78.61 5.76 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -121.59 19.92 11.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG22 HD12 ' A' ' 65' ' ' LEU . 13.2 p -157.99 155.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.573 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.83 133.31 18.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.786 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.94 172.98 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.628 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.4 m-85 -88.24 158.78 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.44 107.57 4.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 58.1 t80 -94.67 108.18 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.722 HG11 ' CE2' ' A' ' 52' ' ' TYR . 46.6 t -113.03 144.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -94.25 119.46 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 16.2 m-85 -113.42 117.68 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.17 100.92 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 t -127.36 113.11 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.98 95.1 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 -45.04 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.05 175.24 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ptp -52.63 -33.31 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 m -69.64 135.54 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -127.3 119.36 26.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -165.81 119.97 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -62.35 155.71 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG3' ' HB2' ' A' ' 116' ' ' ALA . 5.1 tppt? -110.57 -26.4 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 18.6 m-85 66.15 -174.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.484 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -178.56 131.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 108' ' ' VAL . 8.7 tp -88.93 86.53 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 17.8 mt -72.47 105.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' PHE . 54.2 m -86.71 100.06 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CE3' HD21 ' A' ' 127' ' ' LEU . 57.9 t-105 -81.83 141.2 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 65.3 mt -147.19 99.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.91 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.83 131.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -75.08 5.06 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 9.0 t0 -117.08 -23.9 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.2 144.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLY . 9.1 t -68.26 144.37 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.06 -59.75 0.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.451 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.5 tt -33.74 -62.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -47.25 -46.96 24.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -67.57 -31.8 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.93 -16.51 56.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.14 -33.85 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -63.61 -34.81 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -76.08 -38.47 34.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -69.86 -29.02 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.564 ' HA ' HD13 ' A' ' 107' ' ' LEU . 51.7 m-20 -87.38 5.77 37.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 8.3 m -59.04 -22.51 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.2 mp -78.57 -49.58 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 66' ' ' PHE . 25.0 t -60.55 -33.52 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -64.79 -36.24 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 106' ' ' THR . 40.3 mm-40 -46.71 -41.91 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 18' ' ' ARG . 73.6 t -87.02 -37.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 21' ' ' TYR . 71.3 t -99.14 98.03 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -124.0 -32.45 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 10.5 t-20 -66.73 -27.05 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.89 -171.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.563 ' HB2' ' HG3' ' A' ' 82' ' ' LYS . . . -94.17 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.3 tttt -161.82 163.89 29.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pt-20 -85.14 129.16 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -104.65 99.97 9.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 120' ' ' VAL . 12.3 p -79.07 101.18 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 86' ' ' ILE . 6.0 mt -118.57 141.42 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.495 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -119.7 -16.01 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.51 124.06 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 127' ' ' LEU . 21.2 mtm180 -51.33 -35.79 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -16.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.502 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.0 mt-10 -102.69 -19.28 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 121' ' ' ILE . 4.3 mm? -64.88 -15.42 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.09 104.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 133' ' ' ARG . 31.9 tt0 -39.4 -34.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.47 -45.45 73.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.52 -37.2 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.438 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 35.7 mm -58.73 -47.04 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.458 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -52.0 -60.69 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.803 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -38.5 -38.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.75 -58.19 5.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 71' ' ' PHE . 55.4 mt -57.16 -40.24 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -43.52 -41.77 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -102.3 -23.5 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 138' ' ' LYS . . . 42.65 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 87.34 156.25 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.423 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . 179.31 -101.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 141' ' ' GLY . . . 67.64 46.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -86.31 -44.22 12.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.6 45.37 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.13 -42.74 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.13 104.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -137.6 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.0 p -142.04 145.57 34.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m 59.73 44.43 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -82.14 -59.55 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.67 88.92 1.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.12 -56.72 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.7 115.48 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 8' ' ' MET . 5.8 t -104.33 138.29 40.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 7' ' ' THR . 9.1 mtp -165.83 142.0 5.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.12 -169.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 ' CB ' ' OD1' ' A' ' 104' ' ' ASP . 82.5 m -129.61 142.53 50.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.42 171.45 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 11.7 tt -132.53 156.81 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.0 t0 -91.61 44.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.5 mtmt -22.37 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.8 mt-10 -55.55 -59.36 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.33 -37.78 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 47.9 m -59.11 -51.32 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HA ' HG11 ' A' ' 111' ' ' VAL . 21.6 ttp180 -50.07 -36.41 29.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.65 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -66.79 -42.18 86.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 112' ' ' VAL . 3.5 t80 -67.87 -22.76 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -88.26 -48.91 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD13 ' NE2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -46.14 -21.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.6 p -102.95 -39.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.09 176.02 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -109.49 -30.32 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.72 -17.36 71.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 3.1 m -99.81 103.39 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -43.18 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG21 HD22 ' A' ' 23' ' ' LEU . 85.7 t -54.17 129.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 pt -119.98 -18.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.2 p-90 -136.7 148.74 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -149.67 126.86 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p -97.47 155.54 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-85 -135.12 97.78 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -98.34 -179.83 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CE2' HG12 ' A' ' 43' ' ' ILE . 70.1 m-85 -103.77 149.48 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -122.93 14.66 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.32 70.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 24.16 5.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -154.58 122.6 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' CE2' ' A' ' 38' ' ' TYR . 25.3 mt -74.17 134.87 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 13' ' ' ASP . 27.3 m -148.1 143.29 17.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 111.065 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_exo -51.98 116.33 2.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.49 -110.98 0.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.48 174.08 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.632 ' HG3' HG12 ' A' ' 34' ' ' VAL . 11.4 tt0 -170.35 141.92 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.64 176.12 39.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -99.34 -17.73 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 106.11 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.821 ' HE2' HG11 ' A' ' 69' ' ' VAL . 3.4 t80 -54.91 -26.66 37.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -80.3 -27.26 38.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.02 -43.67 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.02 -17.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -84.92 2.23 43.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.69 -30.64 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.2 m -78.5 114.58 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.593 ' OG1' HG12 ' A' ' 63' ' ' VAL . 24.8 p -130.21 172.23 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 2.8 p30 -75.35 2.85 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.11 18.64 12.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.609 HG22 HD12 ' A' ' 65' ' ' LEU . 8.6 p -156.01 151.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.513 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.34 133.74 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.76 170.02 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.7 m-85 -84.22 156.38 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -143.38 100.1 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CD1' HG11 ' A' ' 24' ' ' VAL . 7.5 t80 -87.26 117.46 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.821 HG11 ' HE2' ' A' ' 52' ' ' TYR . 65.2 t -123.92 142.68 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -92.6 131.5 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 15.3 m-85 -124.72 109.47 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.21 100.22 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 82' ' ' LYS . 8.0 t -120.0 -30.56 4.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.94 -64.59 1.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 54.38 39.84 31.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.03 176.66 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.9 mtp -59.85 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.35 -66.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -71.14 111.65 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.904 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -98.93 -70.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -148.44 159.51 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 73' ' ' THR . 33.4 mttm -123.43 -178.05 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-85 -153.77 178.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -170.66 131.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.523 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.2 tp -86.73 93.12 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.582 HG23 HD12 ' A' ' 121' ' ' ILE . 11.2 mt -72.99 100.11 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' PHE . 30.5 m -81.16 100.11 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.9 t-105 -84.18 141.0 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.49 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 69.1 mt -148.15 99.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.862 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.26 127.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.462 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 7.4 pm0 -68.99 -2.28 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 8.9 t70 -107.85 -25.71 11.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 90' ' ' GLY . 15.6 m -50.53 147.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 4.1 m -62.56 130.79 46.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.22 -48.44 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -38.04 -65.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -45.45 -42.88 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -30.2 70.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.49 -19.31 56.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' THR . 22.0 mmmt -98.05 -58.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' LYS . 44.0 m -36.15 -40.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.3 -37.61 63.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.9 m -71.61 -36.79 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 10' ' ' THR . 8.5 m-20 -74.41 -4.79 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -60.97 -37.2 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 m -53.7 -25.0 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.1 mt -77.71 -49.92 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 66' ' ' PHE . 63.7 t -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -67.52 -40.6 85.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' LYS . 2.2 mm-40 -38.27 -40.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 18' ' ' ARG . 60.6 t -87.29 -28.88 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 109' ' ' LYS . 74.5 t -102.08 99.63 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -123.13 -36.8 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 115' ' ' PHE . 2.4 m120 -63.29 -29.14 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.44 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.79 -66.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 22.9 tttt -161.35 163.22 30.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.4 pt-20 -83.37 135.1 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -109.35 100.01 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.77 100.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 16.4 mt -114.25 142.31 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.432 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -118.51 -17.22 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.95 125.53 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -51.68 -36.68 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -51.88 -16.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.505 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 13.9 mt-10 -103.38 -18.09 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.3 mm? -67.11 -13.75 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.08 105.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 31.4 tt0 -39.63 -33.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -57.41 -44.65 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -67.17 -37.1 83.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.414 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 29.6 mm -59.32 -50.26 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.484 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.3 OUTLIER -50.16 -58.7 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -39.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -66.72 -59.81 3.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 94.8 mt -52.26 -37.24 54.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -53.22 -40.71 64.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -114.41 16.61 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -33.25 -55.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 100.29 -132.96 11.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.554 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 68.91 -122.05 12.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -112.83 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -165.72 123.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -55.57 117.38 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -137.16 135.13 37.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -113.24 101.95 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -104.91 172.37 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.2 p -142.36 132.48 24.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 50.61 42.04 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.29 -58.54 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.5 -68.04 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 165.26 21.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.35 119.7 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.5 p -115.72 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 tpt -102.61 140.9 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.95 168.42 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.41 HG21 ' CG ' ' A' ' 104' ' ' ASP . 14.7 m -159.63 144.21 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -136.5 179.97 6.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.1 tt -142.72 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.744 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.1 m-20 -85.17 43.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 13' ' ' ASP . 31.8 mtpt -23.19 -46.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.5 mt-10 -56.86 -60.26 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -66.85 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -63.7 -53.67 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -46.25 -39.09 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.78 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -62.39 -50.39 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.42 -42.07 98.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -67.0 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -92.47 -45.04 8.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.786 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.3 mm? -50.9 -16.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.4 p -109.68 -38.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.3 ttt-85 -67.01 -32.61 73.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.55 171.65 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -115.63 18.05 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.23 -0.19 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.7 m -107.09 104.85 14.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -35.82 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' SER . 77.8 t -54.53 129.96 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.92 -18.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.527 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.0 p-90 -135.97 145.58 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.668 HG12 ' HG3' ' A' ' 48' ' ' GLN . 18.5 m -145.13 124.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -96.02 154.12 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.09 95.95 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -95.93 174.47 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 43' ' ' ILE . 80.9 m-85 -99.22 145.56 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -119.96 14.15 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.97 71.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.89 23.99 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -153.85 114.15 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 108' ' ' VAL . 20.4 mt -68.78 126.41 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.744 HG12 ' CG ' ' A' ' 13' ' ' ASP . 33.1 m -139.97 149.18 57.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.07 114.32 1.58 Allowed 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.761 2.307 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.21 -102.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.93 166.7 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.668 ' HG3' HG12 ' A' ' 34' ' ' VAL . 16.1 tt0 -160.65 140.23 10.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.12 41.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.21 -25.7 15.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -79.85 105.41 11.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.79 ' HE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.77 -27.55 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -66.84 -20.3 65.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -81.72 -26.39 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -77.57 -41.04 40.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.83 -17.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -84.12 3.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -110.93 -23.76 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.4 m -84.3 117.32 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.588 ' OG1' HG12 ' A' ' 63' ' ' VAL . 10.8 p -128.42 179.59 5.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 9.4 m-20 -84.06 4.2 31.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.06 18.64 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' OG1' ' A' ' 60' ' ' THR . 11.2 p -151.78 160.61 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.743 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -151.15 139.85 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -175.56 156.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.88 ' CE1' HG21 ' A' ' 108' ' ' VAL . 33.2 m-85 -75.55 161.07 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.13 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD1' HG11 ' A' ' 24' ' ' VAL . 18.1 t80 -95.02 106.55 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.79 HG11 ' HE2' ' A' ' 52' ' ' TYR . 53.4 t -112.96 143.85 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -90.79 123.87 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.689 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 4.9 m-85 -117.85 132.34 56.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.8 p -88.49 15.47 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.61 ' N ' HH21 ' A' ' 133' ' ' ARG . 9.0 t -45.89 -45.07 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' HG23 ' A' ' 73' ' ' THR . . . 34.45 83.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.531 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.9 t0 -35.93 -42.36 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.79 178.91 4.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -43.62 -56.87 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -53.95 112.58 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 80' ' ' ARG . 10.9 ttp180 -98.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.5 m -129.23 124.01 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.635 ' CG ' ' HB2' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -106.44 -28.62 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.547 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 20.1 m-85 67.4 -175.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.689 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -177.68 131.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 112' ' ' VAL . 11.0 tp -86.68 90.08 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.741 HG23 HD12 ' A' ' 121' ' ' ILE . 19.2 mt -75.42 102.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.5 m -85.24 99.98 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 58.5 t-105 -77.83 144.28 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.548 HG21 ' HG3' ' A' ' 98' ' ' ARG . 67.8 mt -150.18 100.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.53 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.74 -24.55 17.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.92 -9.74 57.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 64' ' ' ARG . 4.1 t -62.32 163.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 93' ' ' VAL . 22.8 t -84.68 135.38 34.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.53 -38.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' C ' HD23 ' A' ' 96' ' ' LEU . 1.4 tt -55.0 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' C ' HH12 ' A' ' 64' ' ' ARG . 25.5 mm-40 -48.7 -46.19 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.548 ' HG3' HG21 ' A' ' 89' ' ' ILE . 24.0 ttt180 -60.48 -27.5 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.45 -2.38 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -100.04 -48.54 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -48.97 -33.17 10.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.15 69.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.6 m -77.77 -40.74 39.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 43' ' ' ILE . 48.3 m-20 -70.06 -9.55 55.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -61.24 -27.78 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.1 m -64.4 -19.21 65.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 107' ' ' LEU . 1.1 mt -88.12 -50.47 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.88 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.3 t -61.97 -34.1 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -66.14 -29.92 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -46.83 -45.46 20.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.72 -41.47 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 115' ' ' PHE . 97.7 t -93.52 97.37 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -124.12 -31.87 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 2.5 t-20 -71.53 -23.71 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.81 -170.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.635 ' HB2' ' CG ' ' A' ' 82' ' ' LYS . . . -92.53 -68.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 35.2 tttt -162.78 162.1 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 pt-20 -83.21 133.95 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 132' ' ' ILE . 3.4 m-30 -108.79 100.0 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.7 100.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 15.4 mt -116.25 142.26 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.516 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 47.5 t -119.03 -16.21 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -115.72 126.61 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.5 mtm105 -52.19 -37.2 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -53.24 -15.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.5 mt-10 -103.07 -16.33 15.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.1 mm? -69.66 -12.27 61.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' PHE . 12.0 mt-10 -50.09 103.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 4.1 tm-20 -36.64 -40.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.38 -45.64 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' GLU . 36.5 t80 -63.28 -36.16 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.584 HG23 ' CE2' ' A' ' 119' ' ' PHE . 22.4 mm -61.56 -43.71 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.61 HH21 ' N ' ' A' ' 73' ' ' THR . 35.4 mmm-85 -52.4 -59.58 4.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 t -40.81 -43.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.23 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.714 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 62.2 mt -40.84 -44.39 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.69 -41.9 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.67 19.47 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.714 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -50.35 123.86 9.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.32 63.24 0.59 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -145.84 50.37 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -119.58 177.4 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.57 155.14 45.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.85 120.72 8.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -150.05 112.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.93 -170.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -96.66 -43.44 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 149' ' ' GLU . 83.2 p -53.39 175.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 148' ' ' SER . 3.5 pt-20 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -77.9 100.0 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 61.85 41.79 11.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.93 104.8 2.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 164.68 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -124.07 140.04 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -107.96 125.24 51.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 44.57 -169.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.49 HG21 ' CG ' ' A' ' 104' ' ' ASP . 26.0 m -160.59 151.83 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 42' ' ' THR . 5.1 mmmm -134.28 173.43 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.0 tt -131.6 147.89 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.675 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.8 m-20 -80.94 46.72 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 13' ' ' ASP . 8.8 mttp -22.77 -45.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.3 mt-10 -59.69 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -65.45 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 34.6 m -67.57 -58.08 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -38.62 -41.21 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.787 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -59.86 -53.75 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -61.9 -40.7 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.584 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.5 t80 -66.3 -22.03 66.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 24' ' ' VAL . 12.0 m120 -90.31 -48.13 7.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.0 mm? -45.47 -20.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.1 p -106.3 -38.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -29.11 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.17 137.3 45.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -84.19 19.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.94 1.1 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 4.8 m -111.47 106.07 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -35.49 -34.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' SER . 85.7 t -50.52 129.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -119.72 -18.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.642 ' CB ' HG22 ' A' ' 69' ' ' VAL . 49.6 p-90 -135.7 143.88 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.959 HG12 ' HG2' ' A' ' 48' ' ' GLN . 28.6 m -143.39 120.11 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 p -91.35 155.72 18.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' HG23 ' A' ' 34' ' ' VAL . 71.8 m-85 -133.84 99.86 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.12 178.65 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CE1' HG12 ' A' ' 43' ' ' ILE . 98.5 m-85 -95.39 146.44 24.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 14.6 t70 -118.52 16.02 13.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.25 -86.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.77 19.68 12.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 11' ' ' LYS . 30.7 m -158.96 149.55 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.548 HD11 ' HB3' ' A' ' 104' ' ' ASP . 9.9 mt -81.06 137.63 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.3 m -147.18 150.71 38.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.1 134.72 50.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.46 -80.13 1.5 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.14 176.12 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.959 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.9 mt-30 -155.61 161.15 40.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.18 167.09 20.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -94.04 -20.04 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 12.9 m-20 -81.36 102.79 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 69' ' ' VAL . 6.6 t80 -54.19 -28.94 43.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 57' ' ' GLN . 7.8 mm-40 -66.39 -34.36 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.572 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -65.55 -32.53 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.05 -41.21 91.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.17 -20.94 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.572 ' NE2' ' HA ' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -77.94 0.95 22.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -108.02 -31.21 8.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.3 m -77.76 117.26 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.691 ' OG1' HG12 ' A' ' 63' ' ' VAL . 34.4 p -132.53 169.97 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.92 18.68 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.691 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -157.63 150.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.496 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.71 131.94 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.58 11.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.594 ' CD1' HG21 ' A' ' 108' ' ' VAL . 14.2 m-85 -85.57 156.35 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.522 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.36 100.48 3.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.4 t80 -88.8 116.67 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG22 ' CB ' ' A' ' 33' ' ' TRP . 86.5 t -120.26 148.36 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 53.3 ttt180 -87.5 125.2 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.658 ' CD2' HD11 ' A' ' 136' ' ' LEU . 70.4 m-85 -128.75 100.08 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.1 t -83.75 145.12 28.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 82' ' ' LYS . 1.6 t -170.91 126.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 -102.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.59 20.16 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.18 176.52 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.9 mmm -51.34 114.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.89 -169.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.55 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -163.72 153.64 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 54.3 m -87.67 147.9 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 69.9 mttt -114.3 -30.37 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-85 57.32 -173.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.839 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.71 131.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.791 HD21 ' CG1' ' A' ' 108' ' ' VAL . 10.5 tp -84.72 91.79 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 38.5 mt -76.11 103.52 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 87' ' ' THR . 2.9 m -86.87 103.04 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 53.9 t-105 -83.15 143.85 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 72.4 mt -149.76 100.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.944 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.84 129.91 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -72.66 2.68 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.09 -24.05 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.17 146.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 95' ' ' GLY . 19.9 m -66.03 141.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.48 -50.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.4 tt -42.6 -66.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 8.8 mt-30 -40.22 -46.65 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.23 89.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.52 -14.25 62.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.491 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.23 -41.79 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -60.01 -37.1 78.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.84 47.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -70.48 -32.57 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.548 ' HA ' HD13 ' A' ' 107' ' ' LEU . 44.1 m-20 -84.47 9.81 12.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 m -58.19 -22.31 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.4 mp -78.13 -50.32 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.791 ' CG1' HD21 ' A' ' 85' ' ' LEU . 39.4 t -59.67 -33.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.48 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -65.38 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -48.46 -54.47 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.523 HG13 HG23 ' A' ' 112' ' ' VAL . 11.0 p -75.32 -29.76 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG22 ' CD1' ' A' ' 21' ' ' TYR . 29.1 t -103.39 99.95 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -121.96 -38.3 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.21 -26.71 66.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -54.32 -172.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -99.07 -65.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 51.4 tttt -160.09 162.1 34.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -88.55 124.41 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.0 m-30 -100.29 100.32 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.14 101.01 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 127' ' ' LEU . 17.6 mt -109.92 147.4 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -21.14 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -114.5 127.12 55.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -52.63 -36.7 57.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.89 -15.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.06 -19.36 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.42 -14.08 60.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' GLU . 9.4 mt-10 -50.02 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 12.7 tt0 -36.13 -36.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.81 -48.66 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 29.7 t80 -65.87 -36.16 82.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.576 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 28.9 mm -58.55 -50.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.462 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.5 OUTLIER -52.94 -57.75 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -41.35 -40.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.18 -59.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.839 HD21 ' HB2' ' A' ' 84' ' ' ALA . 88.5 mt -48.38 -39.04 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -57.48 -37.72 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.41 19.91 17.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -49.87 154.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.56 145.26 49.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.33 76.17 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.89 156.66 44.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.781 0.324 . . . . 0.0 111.065 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -73.73 153.51 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -127.22 171.39 11.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -80.66 -43.91 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.79 108.59 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -116.41 -39.77 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 57.4 m -135.95 130.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p 50.76 31.46 5.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.68 -44.65 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.59 172.41 13.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.82 131.04 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.72 107.91 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.2 m -82.49 -47.5 12.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 tpt -45.05 -52.55 8.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.84 155.48 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 11' ' ' LYS . 32.8 m -123.58 155.41 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 10' ' ' THR . 22.5 mmmt -125.81 178.55 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 15.3 tt -150.04 149.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -92.68 46.79 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 13' ' ' ASP . 25.5 mtmt -21.1 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 pt-20 -52.25 -59.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.47 -34.83 78.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.9 m -60.81 -62.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HA ' HG11 ' A' ' 111' ' ' VAL . 44.6 ttp180 -41.68 -40.78 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.751 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.84 -51.24 70.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.81 -44.9 91.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.4 t80 -64.44 -16.29 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -94.35 -41.64 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.15 -14.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.2 p -110.64 -38.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -29.56 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.55 153.81 40.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.81 -69.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.99 76.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.743 ' OG ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.47 20.02 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.709 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.16 25.83 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -153.32 132.96 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 9.9 pt -117.45 -11.48 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.548 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.4 p-90 -144.48 141.66 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.996 HG12 ' HG2' ' A' ' 48' ' ' GLN . 29.7 m -142.29 130.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.228 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.4 p -99.63 154.3 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -128.67 94.02 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -99.02 177.33 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -97.3 141.7 30.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.625 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.8 t0 -119.67 14.64 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 135.42 65.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.79 11.95 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -140.97 130.14 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 108' ' ' VAL . 42.4 mt -67.96 140.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 39' ' ' ASP . 13.7 m -155.81 145.54 15.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.68 0.752 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 53.5 Cg_exo -51.98 108.62 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -67.59 -100.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 174.92 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.996 ' HG2' HG12 ' A' ' 34' ' ' VAL . 6.4 mt-30 -154.61 163.91 39.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.98 161.1 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . . . -87.51 -19.87 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 16.3 t0 -80.46 100.25 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE2' HG11 ' A' ' 69' ' ' VAL . 8.6 t80 -53.51 -27.74 27.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 15.5 mm100 -67.26 -34.26 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 7.4 m170 -65.96 -33.73 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.625 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.41 -41.33 93.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.76 -20.21 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 2.1 mp0 -80.3 5.83 13.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -115.95 -30.61 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 37.3 m -79.09 104.88 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.474 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 31.0 p -119.39 177.62 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -78.92 4.48 14.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -120.28 20.56 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 14.9 p -156.85 154.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.74 133.93 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -172.67 165.57 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 29.2 m-85 -79.55 157.44 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -145.88 100.09 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CD1' HG11 ' A' ' 24' ' ' VAL . 13.4 t80 -90.75 118.0 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.855 HG11 ' CE2' ' A' ' 52' ' ' TYR . 21.9 t -124.05 141.62 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 38.9 ttt-85 -94.91 117.82 30.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 5.3 m-85 -107.5 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.4 p -125.42 121.3 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -118.95 -34.34 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.6 76.88 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -119.63 15.95 12.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.82 -68.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.0 mtp -100.07 -73.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.0 p -104.93 152.23 22.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.791 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -78.67 105.12 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.61 117.62 23.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -97.39 144.15 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.489 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -116.92 175.31 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 4.9 m-85 -154.03 171.0 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.783 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -171.3 125.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' GLU . 13.2 tp -78.54 93.06 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.558 HG23 HD12 ' A' ' 121' ' ' ILE . 21.1 mt -73.05 100.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' PHE . 64.0 m -81.84 101.69 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 62.7 t-105 -86.16 138.58 31.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 59.9 mt -147.08 97.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.191 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.958 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.01 120.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.14 -4.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.345 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.26 -15.36 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 90' ' ' GLY . 26.2 m -54.42 153.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 6.7 t -70.13 135.49 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.01 -54.75 0.7 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -37.62 -60.74 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 5.1 mt-30 -44.55 -49.2 10.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -66.36 -33.16 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.86 63.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -34.5 10.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.445 ' O ' ' OD1' ' A' ' 104' ' ' ASP . 45.0 m -74.56 -24.9 59.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.19 -16.52 78.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 m -104.91 -31.57 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 101' ' ' THR . 1.2 p-10 -67.43 -16.06 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 15.4 ttmt -54.14 -31.63 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 21.6 m -64.45 -17.14 63.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.6 -44.97 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.76 HG23 HD13 ' A' ' 43' ' ' ILE . 65.2 t -66.94 -37.9 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 109' ' ' LYS . 2.4 ttpm? -62.76 -34.09 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.466 ' CD ' ' O ' ' A' ' 106' ' ' THR . 3.2 mm-40 -43.47 -47.28 7.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 18' ' ' ARG . 71.0 t -72.33 -49.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.223 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 1.1 p -97.24 101.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -28.24 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.88 -25.54 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.8 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.15 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 2.6 ttmt -162.38 165.1 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.2 pm0 -92.44 128.11 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 m-30 -101.56 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.07 100.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.769 HG21 HD22 ' A' ' 127' ' ' LEU . 28.6 mt -111.38 144.93 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.48 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.95 -19.2 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.01 126.06 53.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -50.85 -36.74 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -49.96 -18.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.9 mt-10 -102.5 -19.52 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -66.21 -15.8 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' ASP . 6.1 mt-10 -49.95 104.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 16.7 tt0 -36.03 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 44.1 m-20 -56.71 -48.85 76.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 126' ' ' GLU . 52.4 t80 -66.45 -36.06 81.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.567 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 37.8 mm -54.01 -49.49 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.56 -53.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.7 t -45.08 -40.4 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.47 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 9.3 mm-40 -63.4 -59.02 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 84' ' ' ALA . 80.9 mt -46.53 -35.76 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -48.18 -38.09 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 139' ' ' ALA . 2.7 pttm -111.91 14.75 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -33.13 -57.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . 97.62 178.98 33.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' GLY . . . 37.79 -110.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 54.39 39.13 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -159.01 136.87 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -166.09 104.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 t0 51.48 -170.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.12 166.23 10.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -94.09 102.99 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 89.3 p -79.68 -43.05 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 p 41.57 27.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 167.09 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -94.73 -53.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 69.34 -170.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.26 161.57 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -95.01 19.98 9.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.0 tpp -82.67 -51.08 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.67 171.89 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.555 HG21 ' CG ' ' A' ' 104' ' ' ASP . 30.6 m -140.54 151.81 45.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.176 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -128.41 167.23 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.895 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 11.7 tt -135.22 146.24 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -81.77 45.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.6 mtpp -23.86 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.1 mt-10 -57.59 -59.59 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.3 -54.2 36.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HA ' HG11 ' A' ' 111' ' ' VAL . 36.1 ttp180 -45.69 -36.66 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.41 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -63.14 -47.12 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.1 t80 -60.73 -19.72 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.77 -44.54 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -49.07 -18.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.4 p -108.95 -34.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.07 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.89 171.33 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.51 19.72 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.95 -0.18 4.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' OG ' HD13 ' A' ' 23' ' ' LEU . 2.8 m -106.51 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 110.809 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.688 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -46.72 -19.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 69.5 t -60.79 127.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -119.96 -12.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 45.7 p-90 -142.76 140.93 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.01 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -142.64 128.99 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -98.79 154.7 17.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 72.3 m-85 -132.95 97.35 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -98.15 172.89 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.527 ' CE2' HG12 ' A' ' 43' ' ' ILE . 75.5 m-85 -94.07 141.77 28.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 44' ' ' VAL . 35.4 t0 -109.82 13.37 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.94 11.99 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.741 HG23 ' C ' ' A' ' 11' ' ' LYS . 6.0 m -152.22 142.51 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG12 ' CE2' ' A' ' 38' ' ' TYR . 18.8 mt -70.82 146.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 39' ' ' ASP . 16.8 m -154.4 143.33 14.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.04 123.05 11.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.15 -96.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD2' ' CD ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -92.92 179.79 5.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 1.01 ' HG3' HG12 ' A' ' 34' ' ' VAL . 9.5 tt0 -169.51 136.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.88 172.36 40.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -95.78 -25.04 16.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.87 105.68 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.77 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.2 t80 -53.97 -28.85 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.22 -20.62 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -82.24 -26.45 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -77.93 -43.94 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.23 -17.82 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -84.93 2.6 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CD ' ' OD2' ' A' ' 47' ' ' ASP . 10.9 mm-40 -108.5 -33.48 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.5 m -76.53 115.57 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.487 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.4 p -132.96 174.45 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' HA ' ' CA ' ' A' ' 90' ' ' GLY . 0.7 OUTLIER -75.43 5.11 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -121.07 19.46 11.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.82 151.74 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -144.93 124.1 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.66 171.53 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.3 m-85 -89.38 163.49 15.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -150.45 111.61 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 83' ' ' PHE . 18.5 t80 -92.44 104.41 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.77 HG11 ' HE2' ' A' ' 52' ' ' TYR . 44.2 t -108.74 142.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 17.7 ttt180 -94.22 119.08 32.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 3.2 m-85 -112.33 137.07 51.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 0.7 OUTLIER -126.53 105.22 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.736 HG22 ' NZ ' ' A' ' 82' ' ' LYS . 1.4 t -123.27 144.23 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -161.73 119.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.01 -55.8 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.71 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.1 tpp 50.0 42.08 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.1 t -151.5 107.69 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 101.16 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 81' ' ' SER . 32.1 ttt180 -154.33 150.0 27.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 25.2 p -81.19 130.13 34.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.736 ' NZ ' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER -109.92 -40.38 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 28.4 m-85 66.88 -177.31 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -179.88 134.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.583 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.7 tp -85.91 94.51 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.779 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -78.13 102.74 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' THR . 2.9 m -86.87 99.94 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 60.4 t-105 -82.88 144.07 30.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 86.0 mt -151.19 99.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.833 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.83 133.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.32 8.45 4.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -114.45 -27.56 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 90' ' ' GLY . 35.8 m -51.2 145.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.3 t -67.25 145.99 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.13 -50.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.1 tt -43.29 -66.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -40.82 -46.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG21 ' A' ' 89' ' ' ILE . 18.8 ttm-85 -69.85 -33.69 72.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.03 -16.53 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -36.1 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 m -59.37 -38.67 81.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.02 -35.53 64.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.0 m -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.555 ' CG ' HG21 ' A' ' 10' ' ' THR . 42.8 m-20 -85.78 7.98 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -77.2 -32.93 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.6 m -58.37 -22.66 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.714 HD12 ' N ' ' A' ' 107' ' ' LEU . 2.6 mp -77.37 -49.84 14.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.1 t -60.19 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -63.6 -35.88 81.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.15 -46.1 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.5 t -82.73 -34.0 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 115' ' ' PHE . 69.6 t -97.9 99.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -124.86 -36.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -65.87 -22.71 66.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -56.75 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.54 -65.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.56 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 24.7 tttp -160.88 162.63 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 1.7 pm0 -87.56 124.09 33.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.3 m-30 -99.23 106.59 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.3 101.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 86' ' ' ILE . 11.7 mt -112.5 144.24 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -19.92 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -114.46 128.83 56.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -53.29 -38.38 63.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.52 -16.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 14.3 mt-10 -101.78 -19.42 15.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -66.54 -13.47 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 129' ' ' GLU . 8.6 mt-10 -50.97 101.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 37.4 tt0 -34.06 -41.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -50.94 -49.0 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 37.3 t80 -62.54 -35.52 79.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.647 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 26.2 mm -61.2 -44.54 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 72' ' ' THR . 37.0 mmm-85 -52.15 -58.39 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.5 t -41.12 -41.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 138' ' ' LYS . 25.9 mm-40 -61.42 -53.19 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 71' ' ' PHE . 59.6 mt -63.05 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -50.06 -41.94 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 135' ' ' GLU . 2.7 ptpp? -95.98 -42.26 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.22 49.97 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -40.65 138.12 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.63 108.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -123.89 133.31 53.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.32 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -50.03 109.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -150.33 135.66 17.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -112.6 148.17 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -154.23 148.17 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -129.26 130.13 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 55.1 p -39.32 -50.67 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -53.31 -48.83 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -147.21 173.11 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.64 -176.97 46.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.3 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.84 96.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -105.9 148.01 28.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -95.98 -29.74 13.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 8' ' ' MET . . . -57.1 175.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -128.13 142.52 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.099 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -113.73 175.5 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tt -143.87 143.24 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.568 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.0 m-20 -82.33 46.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.0 mtpt -22.82 -50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.1 pt-20 -52.22 -59.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.8 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.2 m -61.32 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -43.28 -38.9 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.29 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CD1' HG22 ' A' ' 112' ' ' VAL . 2.2 t80 -61.14 -21.32 63.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -86.72 -47.59 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.568 HD13 ' OG ' ' A' ' 29' ' ' SER . 3.6 mm? -49.49 -18.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.52 ' CG2' HG13 ' A' ' 34' ' ' VAL . 6.7 t -107.34 -38.07 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -65.92 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -56.7 156.18 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.65 -52.68 3.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.57 72.48 0.16 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.568 ' OG ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -82.68 22.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 71.18 25.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.5 t -148.06 134.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.45 -18.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -137.66 143.26 41.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.92 HG12 ' HG3' ' A' ' 48' ' ' GLN . 14.4 m -144.04 129.38 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -100.95 152.57 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 91.5 m-85 -131.27 97.44 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -97.67 178.25 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.523 ' CE1' HG12 ' A' ' 43' ' ' ILE . 92.3 m-85 -99.35 145.57 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -119.8 14.24 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.8 71.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 27.22 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.5 m -159.54 121.17 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.523 HG12 ' CE1' ' A' ' 38' ' ' TYR . 39.5 mt -70.54 132.27 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG12 ' CG ' ' A' ' 13' ' ' ASP . 15.8 m -147.02 143.88 18.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.176 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 119.66 6.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.52 -100.14 0.87 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.19 170.5 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.92 ' HG3' HG12 ' A' ' 34' ' ' VAL . 15.4 tt0 -163.62 136.47 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.68 169.31 37.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.03 22.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.7 t0 -85.37 106.07 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.92 -29.33 56.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -68.19 -20.69 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -81.89 -25.88 34.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -77.41 -42.61 35.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 92.5 mt -67.39 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -86.31 3.06 44.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -109.13 -30.15 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 42.1 m -82.53 114.71 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.506 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.5 p -124.15 176.88 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 91' ' ' GLU . 2.8 t0 -80.78 12.41 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.49 19.91 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 65' ' ' LEU . 14.3 p -152.48 159.14 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -149.99 130.53 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.26 165.11 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -83.12 156.35 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.51 104.77 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 60.4 t80 -90.37 110.49 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 33' ' ' TRP . 43.2 t -115.19 147.28 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 52.0 ttt180 -86.29 137.08 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CG ' ' CD1' ' A' ' 136' ' ' LEU . 90.9 m-85 -138.21 100.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -64.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 71' ' ' PHE . 17.5 p 53.55 14.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.19 73.31 0.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.558 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.62 -57.4 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.01 -40.03 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.55 -70.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -179.83 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -134.31 151.76 51.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 63.53 -170.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -105.32 164.51 11.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 7.5 mmmt -119.67 -33.14 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 40.9 m-85 67.39 -175.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.542 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.22 130.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.6 tp -87.52 91.75 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.831 HG23 HD12 ' A' ' 121' ' ' ILE . 18.5 mt -75.49 104.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 87' ' ' THR . 3.1 m -87.36 100.03 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.475 ' CE3' HD21 ' A' ' 127' ' ' LEU . 63.4 t-105 -83.29 142.8 30.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.569 HG21 ' HG3' ' A' ' 98' ' ' ARG . 58.8 mt -151.35 99.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.818 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -37.03 129.9 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 13.7 mt-10 -72.49 5.71 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 2.3 t70 -115.75 -23.1 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 90' ' ' GLY . 25.8 m -50.32 149.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 p -56.87 136.05 55.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -38.64 -56.17 2.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -42.8 -56.28 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -44.5 -48.65 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG3' HG21 ' A' ' 89' ' ' ILE . 10.0 ttt180 -65.2 -35.37 80.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.76 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.644 ' HG2' HD13 ' A' ' 96' ' ' LEU . 10.0 mmmm -98.34 -51.89 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.503 HG21 HG12 ' A' ' 89' ' ' ILE . 87.3 m -40.78 -41.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.192 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.74 86.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 m -69.79 -36.41 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.114 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.5 m-20 -67.59 -4.88 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.74 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.2 m -52.31 -25.13 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -82.28 -52.03 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.728 ' CG1' HD21 ' A' ' 85' ' ' LEU . 86.9 t -59.05 -32.53 48.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -66.05 -35.58 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.89 -38.81 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.12 -42.65 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 21' ' ' TYR . 84.0 t -94.74 98.51 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -123.74 -30.84 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' PHE . 22.9 t30 -69.57 -26.11 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.86 -171.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.585 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -95.71 -67.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 17.8 tttt -161.26 161.05 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.791 ' OE1' HG23 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -84.81 127.44 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.438 ' CD2' HG23 ' A' ' 132' ' ' ILE . 5.5 m-30 -101.12 102.61 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.791 HG23 ' OE1' ' A' ' 118' ' ' GLU . 96.2 t -80.36 101.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.831 HD12 HG23 ' A' ' 86' ' ' ILE . 8.4 mt -114.78 140.97 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -17.09 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -116.68 127.52 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 124' ' ' ARG . 36.1 mtm105 -52.16 -37.23 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -51.71 -17.19 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.496 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -101.55 -18.66 15.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -65.86 -16.31 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 125' ' ' LYS . 4.8 mt-10 -50.06 104.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 3.1 pt-20 -38.64 -36.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.495 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 6.6 m-20 -53.46 -46.05 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -67.47 -37.85 83.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.475 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 30.5 mm -55.96 -48.4 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -60.38 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.9 t -38.96 -40.12 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.46 -58.16 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 84' ' ' ALA . 51.8 mt -54.03 -45.78 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -47.81 -42.14 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -109.4 19.74 19.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -37.65 -49.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.44 116.05 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . 140.94 -53.77 0.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.525 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 141' ' ' GLY . . . 67.3 -169.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.309 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -72.46 107.41 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -179.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -100.37 175.52 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.49 108.96 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -54.53 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.7 p -63.43 172.01 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -87.58 -42.65 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 61.29 -170.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.89 144.73 40.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -38.43 -57.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.0 140.7 29.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.7 p -100.11 108.38 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.67 -58.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.85 142.87 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.681 HG21 ' CG ' ' A' ' 104' ' ' ASP . 20.0 m -123.02 146.01 48.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.199 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -127.68 161.53 28.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.8 tt -126.95 150.68 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.2 m-20 -87.51 45.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttm -22.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.6 pt-20 -52.46 -57.6 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.34 -33.31 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 28.0 m -62.61 -62.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' HG11 ' A' ' 111' ' ' VAL . 29.4 ttm180 -40.9 -42.67 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.45 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.972 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.47 -46.92 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.901 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -60.59 -20.98 62.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -85.64 -43.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 29' ' ' SER . 2.7 mm? -52.93 -15.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.684 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.4 p -110.75 -24.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ptt180 -82.17 -28.56 32.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.01 155.39 40.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.32 100.09 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.24 54.07 18.68 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -87.54 20.03 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.802 -179.709 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 69.94 16.43 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 48' ' ' GLN . 59.0 t -153.63 139.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -119.19 -19.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.666 ' HB2' HG22 ' A' ' 69' ' ' VAL . 40.5 p-90 -137.89 154.25 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 ' HB1' ' A' ' 20' ' ' ALA . 9.3 p -152.53 137.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLY . 7.3 p -107.75 148.46 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 66.0 m-85 -127.99 96.88 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -98.51 174.49 6.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CE1' HG12 ' A' ' 43' ' ' ILE . 76.2 m-85 -94.47 146.85 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -119.76 16.85 12.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.65 72.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.98 24.74 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 m -158.12 124.06 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 104' ' ' ASP . 21.8 mt -71.78 137.71 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 13' ' ' ASP . 23.0 m -152.62 143.86 16.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 111.19 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.06 109.63 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -75.2 -99.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 2.4 m-20 -91.22 174.2 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.699 0.285 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HG2' HG11 ' A' ' 31' ' ' VAL . 20.2 tt0 -168.61 136.68 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.29 171.86 44.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.72 -14.57 21.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 3.0 m-20 -87.55 108.94 19.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 4.3 t80 -56.53 -27.99 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -72.12 -21.62 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -79.59 -27.14 41.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.16 -45.08 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 87.2 mt -64.07 -20.58 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -81.05 0.7 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 20.3 mm-40 -103.87 -46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 88' ' ' TRP . 3.4 p -66.4 112.93 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.649 ' OG1' HG12 ' A' ' 63' ' ' VAL . 61.7 p -123.12 176.25 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 1.2 p-10 -79.62 2.51 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.11 18.56 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG12 ' OG1' ' A' ' 60' ' ' THR . 10.2 p -154.09 159.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.597 ' H ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -150.79 131.21 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.73 HD13 ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.04 170.06 12.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -83.76 151.57 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.96 101.18 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.6 t80 -91.99 118.86 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 ' HB2' ' A' ' 33' ' ' TRP . 23.3 t -125.07 148.63 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 17.2 ttt180 -104.53 123.16 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -113.43 149.9 33.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.8 107.35 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 t -158.16 129.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.71 143.67 5.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' SER . 47.6 m-20 -106.69 -72.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 78' ' ' SER . . . 41.96 38.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.2 ttp 69.93 -15.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 76' ' ' ALA . 6.5 t -156.65 99.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.3 127.96 21.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -107.29 148.44 28.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 p -81.88 120.59 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -97.1 163.47 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 5.3 m-85 -152.1 171.01 18.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.98 127.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -81.63 91.0 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.24 100.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' PHE . 3.4 m -82.24 101.58 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 t-105 -82.41 140.8 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 90' ' ' GLY . 71.4 mt -146.63 99.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.46 134.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.82 3.64 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 24.9 t70 -118.94 -11.31 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 97' ' ' GLN . 43.6 t -58.94 144.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 95' ' ' GLY . 17.5 m -66.04 132.73 49.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.63 -36.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.2 tm? -52.12 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 24.8 mm-40 -59.51 -34.31 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 7.2 tmm_? -73.54 -26.11 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -88.62 -13.45 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -39.49 9.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -47.42 -36.97 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.69 -31.92 55.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.7 m -73.4 -29.86 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.681 ' CG ' HG21 ' A' ' 10' ' ' THR . 97.0 m-20 -85.53 3.73 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' ' OE1' ' A' ' 118' ' ' GLU . 6.6 ttpp -71.45 -32.54 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 15.3 m -60.33 -21.02 61.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 107' ' ' LEU . 1.6 mp -82.95 -49.42 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.8 t -63.06 -32.96 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -36.66 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' THR . 1.8 mm-40 -45.64 -36.69 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 18' ' ' ARG . 79.3 t -88.77 -41.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.901 HG22 ' CD1' ' A' ' 21' ' ' TYR . 46.0 t -96.68 99.96 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -122.13 -30.88 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' PHE . 0.5 OUTLIER -67.75 -28.06 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.21 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.17 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 8.1 tttp -161.79 162.59 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 6.5 pt-20 -86.79 134.05 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.1 m-85 -106.4 100.29 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.84 100.07 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.754 HG21 HD22 ' A' ' 127' ' ' LEU . 38.9 mt -111.6 143.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -17.26 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.72 126.75 53.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -51.76 -37.25 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 1.9 mppt? -53.42 -15.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 3.2 mm-40 -101.8 -18.65 15.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -67.97 -12.33 60.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' GLU . 6.9 mt-10 -52.42 105.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 7.6 pt-20 -37.29 -37.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.03 -47.0 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE2' ' OE2' ' A' ' 126' ' ' GLU . 33.4 t80 -65.83 -34.71 78.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.19 -49.64 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -58.23 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -40.15 -39.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 139' ' ' ALA . 54.8 mm-40 -66.57 -56.83 8.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 64.6 mt -53.96 -41.8 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -54.24 -39.13 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -115.21 19.85 15.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -50.79 175.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.14 68.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 144.25 95.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -136.27 104.2 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.78 110.97 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.6 125.33 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.53 103.2 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.58 101.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.441 ' NE2' ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -80.01 -50.24 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 20.6 m 39.24 48.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.441 ' H ' ' NE2' ' A' ' 147' ' ' GLN . 18.4 tt0 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.751 0.31 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.89 139.11 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.3 m-20 -81.16 46.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASP . 5.8 mtpm? -23.07 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -53.06 -59.72 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.2 -36.13 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 m -60.49 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 16.1 ttm180 -40.01 -43.83 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -55.53 -52.95 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.054 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.639 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.4 t80 -60.24 -19.37 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 53.8 m-20 -91.25 -46.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.6 mm? -46.41 -20.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.3 p -108.72 -36.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.533 HH12 ' ND2' ' A' ' 114' ' ' ASN . 0.4 OUTLIER -66.03 -28.5 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.835 0.35 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -119.31 -21.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.483 ' HB2' HG22 ' A' ' 69' ' ' VAL . 37.2 p-90 -134.58 158.32 44.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.054 HG21 ' HB1' ' A' ' 20' ' ' ALA . 12.3 p -159.38 136.75 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -108.69 149.41 29.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' HG13 ' A' ' 34' ' ' VAL . 36.9 m-85 -127.27 98.31 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -99.89 171.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' HG12 ' A' ' 43' ' ' ILE . 87.0 m-85 -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.1 t0 -119.78 11.91 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 128.65 69.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.88 26.1 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -158.03 115.69 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 38' ' ' TYR . 40.4 mt -64.68 127.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.9 m -140.29 144.78 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 111.55 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.779 2.319 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.61 -103.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.51 170.27 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -167.75 139.12 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.9 174.7 42.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.04 -18.88 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -85.81 105.3 16.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.72 ' HE2' HG11 ' A' ' 69' ' ' VAL . 8.3 t80 -54.54 -28.36 45.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.41 -21.39 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -80.51 -27.43 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.62 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -75.2 -46.78 31.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.69 -23.19 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -78.35 1.86 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -109.26 -31.89 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 40.1 m -80.9 117.38 21.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.447 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 34.7 p -138.27 176.16 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.6 m-20 -75.2 4.72 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -120.48 20.1 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 65' ' ' LEU . 12.7 p -160.09 156.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.94 135.18 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.741 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -174.51 169.46 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CD1' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -86.77 156.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -140.44 103.05 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' HG11 ' A' ' 24' ' ' VAL . 10.2 t80 -86.42 109.24 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.72 HG11 ' HE2' ' A' ' 52' ' ' TYR . 41.2 t -117.33 143.12 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 18.0 ttt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 2.8 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.22 128.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 85' ' ' LEU . 11.9 tp -80.2 92.95 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 121' ' ' ILE . 30.2 mt -75.12 100.03 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.0 m -84.23 101.49 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.6 t-105 -88.05 142.86 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 79.7 mt -149.14 99.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.873 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.98 134.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -77.44 8.36 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.67 -25.82 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.3 m -50.01 157.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 25.5 t -67.09 140.87 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.77 -50.32 1.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 99' ' ' ALA . 13.4 tp -44.44 -66.82 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 21.0 mt-30 -37.94 -41.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -73.65 -37.02 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -76.47 -21.19 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.8 mmmt -95.63 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 27.8 m -36.81 -37.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.8 -38.5 66.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 100' ' ' LYS . 54.8 m -68.76 -41.07 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.57 -4.82 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' CE ' ' HG3' ' A' ' 118' ' ' GLU . 19.3 ttmt -59.18 -35.28 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.6 m -56.26 -24.96 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.0 mt -78.46 -51.47 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 66' ' ' PHE . 38.8 t -62.18 -31.97 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -65.43 -34.4 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -45.32 -37.9 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.6 t -90.9 -39.66 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 21' ' ' TYR . 54.5 t -95.24 99.73 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.19 -32.04 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.533 ' ND2' HH12 ' A' ' 25' ' ' ARG . 4.0 t30 -68.14 -27.16 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.4 -170.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.7 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 44.6 tttt -161.08 164.65 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.2 pm0 -90.71 125.62 35.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 132' ' ' ILE . 9.2 m-30 -100.33 104.9 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.89 100.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 86' ' ' ILE . 10.3 mt -110.73 145.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -19.72 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -116.15 126.85 54.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -51.48 -36.23 43.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -52.23 -15.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.59 -18.18 14.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -67.92 -13.6 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 130' ' ' ASP . 5.1 mt-10 -50.01 105.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tt0 -38.65 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 128' ' ' GLU . 74.7 m-20 -59.66 -46.17 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 128' ' ' GLU . 30.8 t80 -67.48 -36.8 81.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.456 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.7 mm -59.96 -50.71 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.449 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -49.11 -57.44 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.0 m -41.58 -42.29 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.756 0.312 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 108' ' ' VAL . 10.7 tt -140.04 153.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 14' ' ' LYS . 6.6 t0 -89.03 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 13' ' ' ASP . 23.5 mtpt -22.41 -49.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -54.98 -58.15 8.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.52 -37.06 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HB2' HG21 ' A' ' 111' ' ' VAL . 56.6 m -59.56 -61.19 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 38.8 ttp180 -42.74 -43.03 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.62 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.059 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.3 -46.87 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.555 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.2 t80 -62.54 -30.3 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 24' ' ' VAL . 65.6 m-20 -75.86 -53.73 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.8 mm? -44.06 -21.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 22' ' ' ASN . 19.4 t -104.16 -31.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 5.1 ptt180 -72.76 -29.69 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 48' ' ' GLN . 2.8 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 pt -120.04 -13.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.551 ' HB2' HG22 ' A' ' 69' ' ' VAL . 44.6 p-90 -146.96 159.7 43.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.059 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.1 p -155.61 149.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 47' ' ' ASP . 11.3 p -122.59 145.74 48.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -123.62 97.8 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -98.91 -178.39 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -102.3 145.25 29.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 t70 -119.95 13.63 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.23 74.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.576 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.31 25.36 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -158.76 129.64 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG22 ' A' ' 108' ' ' VAL . 34.6 mt -77.91 129.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 13' ' ' ASP . 34.8 m -142.9 144.45 29.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.8 Cg_exo -52.12 102.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.22 -99.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . 2.2 m-20 -95.14 168.4 10.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.9 tt0 -169.12 149.07 4.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.93 177.58 42.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.7 10.18 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 2.0 m-20 -114.75 104.13 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.877 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.9 t80 -52.64 -29.98 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.88 -24.25 64.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -77.95 -29.04 49.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.8 -45.08 45.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.1 -17.84 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.24 2.44 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -108.63 -29.07 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.8 m -79.62 117.82 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.631 ' OG1' HG12 ' A' ' 63' ' ' VAL . 33.1 p -131.24 173.55 10.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.88 7.0 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.74 18.04 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' OG1' ' A' ' 60' ' ' THR . 12.7 p -153.91 159.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.52 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.6 135.22 16.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.79 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.64 161.81 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 108' ' ' VAL . 18.2 m-85 -76.78 152.79 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' VAL . . . -140.63 104.47 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 89.5 t80 -93.38 111.65 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' CE2' ' A' ' 52' ' ' TYR . 22.9 t -117.71 149.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.0 m-85 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.66 128.88 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 11.9 tp -80.5 93.51 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 121' ' ' ILE . 20.3 mt -73.84 99.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 119' ' ' PHE . 10.2 m -79.78 102.19 8.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.694 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.3 t-105 -84.2 141.62 30.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.922 HG21 ' HG3' ' A' ' 98' ' ' ARG . 60.2 mt -147.85 100.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -35.01 134.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -74.51 0.02 16.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -112.02 -13.96 13.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' GLY . 4.8 t -54.7 160.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 95' ' ' GLY . 20.0 m -81.19 133.19 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.36 -43.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -55.79 -60.62 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HB2' HG12 ' A' ' 93' ' ' VAL . 6.4 mt-30 -55.68 -38.98 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.922 ' HG3' HG21 ' A' ' 89' ' ' ILE . 34.8 ttt-85 -71.97 -27.43 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.44 -9.15 59.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.6 mmmt -95.48 -57.93 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 m -34.87 -39.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -70.27 -40.86 69.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 100' ' ' LYS . 97.1 m -68.29 -34.34 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.6 m-20 -72.98 -5.98 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.457 ' CD ' ' HG3' ' A' ' 118' ' ' GLU . 20.0 ttpt -61.61 -35.56 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.3 m -55.55 -22.16 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -88.02 -52.86 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 66' ' ' PHE . 61.0 t -57.75 -36.66 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -64.25 -31.57 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.54 -44.51 12.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 17' ' ' CYS . 77.9 t -78.75 -51.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.555 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 p -94.9 97.83 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.87 -28.11 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' PHE . 1.3 p-10 -64.72 -26.4 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.18 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.67 -68.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.8 tttt -160.81 164.73 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -92.05 131.25 37.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.6 m-30 -102.77 110.43 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.21 99.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.991 HG21 HD22 ' A' ' 127' ' ' LEU . 1.4 mm -105.59 143.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.0 t -120.06 -16.36 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -127.08 131.83 50.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.808 ' HA ' HD23 ' A' ' 127' ' ' LEU . 40.1 mtm180 -52.17 -35.18 48.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -51.52 -19.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.8 mt-10 -100.81 -17.45 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 121' ' ' ILE . 4.6 mm? -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.94 106.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -39.66 -33.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.25 -45.99 76.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.25 -35.31 75.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.3 -54.26 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.48 -55.25 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -42.81 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.52 ' C ' HG23 ' A' ' 42' ' ' THR . 15.4 mtpp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 108' ' ' VAL . 7.7 tt -140.48 153.43 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -89.59 44.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.2 mtpp -24.61 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.7 mt-10 -56.42 -59.33 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.09 -32.23 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.33 -56.02 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HA ' HG21 ' A' ' 111' ' ' VAL . 28.0 ttm180 -42.29 -41.26 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.791 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.78 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.037 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -66.29 -40.0 89.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 114' ' ' ASN . 0.6 OUTLIER -68.55 -16.83 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 76.5 m-20 -94.04 -43.15 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.0 mm? -49.35 -18.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.0 p -105.62 -38.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -30.07 70.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 61.7 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.0 -17.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.656 ' HB2' HG22 ' A' ' 69' ' ' VAL . 52.3 p-90 -139.1 164.8 28.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.037 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.5 p -160.86 146.41 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -117.34 154.58 31.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.8 m-85 -130.87 97.5 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.09 172.13 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CE2' HG12 ' A' ' 43' ' ' ILE . 51.7 m-85 -95.8 144.08 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 7.3 t70 -109.9 10.68 24.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.66 -82.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.99 8.62 11.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 11' ' ' LYS . 10.8 m -148.76 145.55 27.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 38' ' ' TYR . 14.6 mt -74.74 149.65 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.463 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.1 m -157.85 146.4 14.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.07 120.06 6.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.89 -96.49 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -94.66 165.75 12.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -166.3 140.61 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.98 46.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.575 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.08 -25.78 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.8 107.99 11.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.4 t80 -55.48 -27.15 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -71.23 -20.32 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -80.15 -26.32 39.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.653 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.89 -39.5 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 87.6 mt -70.95 -16.53 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -86.18 4.88 36.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -110.56 -31.29 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 52.4 m -79.77 116.56 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.481 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.8 p -132.83 175.73 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.14 3.17 13.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.75 20.03 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.52 153.72 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -146.54 128.95 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.775 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.69 162.41 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CD1' HG21 ' A' ' 108' ' ' VAL . 16.6 m-85 -79.39 155.36 28.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.72 105.95 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 15.4 t80 -92.45 111.66 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 33' ' ' TRP . 66.8 t -115.85 148.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 32.9 ttt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 25.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.29 130.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.3 tp -87.96 88.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' HD12 ' A' ' 121' ' ' ILE . 18.0 mt -74.9 104.37 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.07 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 119' ' ' PHE . 25.7 m -84.5 102.94 13.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.5 t-105 -85.22 142.93 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.763 HG21 ' HG3' ' A' ' 98' ' ' ARG . 76.5 mt -149.82 99.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.826 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.33 134.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.25 6.53 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.86 -29.18 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.0 m -49.95 151.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 12.4 t -68.72 141.97 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -36.58 -59.74 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -33.91 -61.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.46 -45.7 13.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.763 ' HG3' HG21 ' A' ' 89' ' ' ILE . 23.3 ttt180 -70.28 -32.39 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.13 -16.37 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.36 -46.71 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -51.37 -40.61 59.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.46 -36.47 54.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.5 m -71.14 -35.21 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.419 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 66.5 m-20 -75.73 -1.06 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.97 -36.9 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -53.93 -25.36 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.2 mt -80.53 -46.58 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.1 t -67.59 -24.61 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.44 -28.26 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.24 -50.08 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 18' ' ' ARG . 6.9 p -74.83 -42.19 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.547 HG12 HG13 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -106.84 99.57 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.05 -20.95 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.468 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -76.54 -19.79 57.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.68 -167.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.84 -69.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.538 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 9.6 tttp -165.62 165.31 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.4 pp20? -85.61 123.22 30.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.8 m-30 -100.45 100.23 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.59 101.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.795 HG21 HD22 ' A' ' 127' ' ' LEU . 26.5 mt -113.54 142.17 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -117.61 -19.53 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.98 125.59 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -51.55 -36.71 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -53.54 -14.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.7 mt-10 -103.6 -17.08 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 121' ' ' ILE . 3.0 mm? -68.27 -13.23 62.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -50.31 105.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 pt-20 -39.63 -34.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 1.6 m-20 -56.29 -45.79 80.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -66.61 -38.33 86.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.425 HG23 ' CD2' ' A' ' 119' ' ' PHE . 24.0 mm -58.9 -47.33 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -50.93 -59.51 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -39.66 -38.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.7 tt -135.46 147.68 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.86 46.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 13' ' ' ASP . 29.4 mttm -22.22 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -53.13 -58.08 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.2 -35.4 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 111' ' ' VAL . 37.3 m -61.05 -62.19 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 21.6 ttp180 -39.42 -46.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.15 -48.87 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.077 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.85 -44.38 85.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.883 ' CD1' HG12 ' A' ' 112' ' ' VAL . 1.9 t80 -63.31 -20.82 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 35.4 m-20 -85.23 -50.84 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.3 mm? -47.63 -19.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' ILE . 4.5 p -106.01 -33.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HD2' ' CZ ' ' A' ' 21' ' ' TYR . 1.4 ttt180 -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 48' ' ' GLN . 60.6 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.786 0.327 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.5 pt -119.31 -21.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . 47.5 p-90 -135.64 162.19 33.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.077 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.5 p -158.94 150.67 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -123.67 148.4 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.674 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 50.2 m-85 -128.33 99.73 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.42 176.96 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE1' HG12 ' A' ' 43' ' ' ILE . 77.6 m-85 -98.77 141.8 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.57 14.75 12.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.19 72.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.35 27.12 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -157.48 110.4 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 38' ' ' TYR . 16.9 mt -62.57 133.86 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.1 m -147.69 142.02 16.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.6 Cg_exo -52.01 106.02 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.298 . . . . 0.0 112.318 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.49 -99.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.87 172.75 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 15.8 tt0 -171.05 155.55 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.62 174.6 36.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.22 -8.65 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -94.84 106.24 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.7 t80 -54.59 -28.67 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.38 -21.52 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -79.88 -27.17 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.81 -42.64 39.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 56' ' ' ILE . 89.6 mt -67.78 -16.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -85.56 3.52 40.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -108.12 -33.31 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 58.3 m -76.81 116.4 17.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.476 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.2 p -134.12 174.42 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -75.23 3.19 9.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -120.26 20.02 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.595 HG22 HD12 ' A' ' 65' ' ' LEU . 10.7 p -159.09 151.27 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -144.95 130.47 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.756 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.28 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.9 m-85 -86.75 155.11 20.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -139.81 108.96 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.612 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.0 t80 -98.64 111.91 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 33' ' ' TRP . 12.4 t -121.71 153.88 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.859 0.362 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.79 133.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.1 tp -81.43 91.28 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 22.3 mt -72.59 99.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' PHE . 18.4 m -82.34 99.84 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.4 t-105 -84.5 141.81 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 80.8 mt -148.77 100.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.856 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.11 133.34 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -75.63 6.56 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.406 . . . . 0.0 110.938 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -119.03 -23.31 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.1 m -50.46 149.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.5 t -70.83 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.61 -52.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.514 HD23 ' HG2' ' A' ' 100' ' ' LYS . 3.6 tt -39.15 -65.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.91 -45.82 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -68.77 -34.18 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.78 -18.65 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.514 ' HG2' HD23 ' A' ' 96' ' ' LEU . 6.0 mmpt? -95.93 -38.5 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -59.24 -37.18 76.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.84 -40.62 44.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.9 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.502 ' HA ' HD13 ' A' ' 107' ' ' LEU . 11.6 m-20 -87.22 10.18 17.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -81.41 -32.45 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 9.0 m -59.49 -15.82 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.7 mp -84.1 -45.32 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -62.64 -39.34 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HE3' ' OE1' ' A' ' 110' ' ' GLU . 21.5 ttpt -61.24 -37.71 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 106' ' ' THR . 2.1 mm-40 -46.36 -48.64 18.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' CYS . 97.3 t -70.52 -51.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.883 HG12 ' CD1' ' A' ' 21' ' ' TYR . 2.2 m -95.9 111.59 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -125.87 -25.92 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 115' ' ' PHE . 5.4 t-20 -64.07 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.1 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.22 -68.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 26.1 tttt -158.44 165.26 35.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pp20? -86.81 128.38 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.485 ' CD2' HG23 ' A' ' 132' ' ' ILE . 8.0 m-30 -102.39 103.49 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.517 HG23 ' OE1' ' A' ' 118' ' ' GLU . 95.0 t -81.87 101.95 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.805 HG21 HD22 ' A' ' 127' ' ' LEU . 20.6 mt -112.86 142.81 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.25 -17.41 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -117.14 127.24 53.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -52.3 -37.82 56.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.37 -15.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.2 mt-10 -102.11 -19.34 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.97 -15.37 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.3 105.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.9 pt-20 -39.15 -34.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.42 -45.04 80.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.53 -38.97 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.485 HG23 ' CD2' ' A' ' 119' ' ' PHE . 31.1 mm -51.4 -49.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.95 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -40.07 -40.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 13.3 mm-40 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.735 0.302 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.2 tt -127.41 148.83 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -85.26 46.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 13' ' ' ASP . 43.5 mttt -25.52 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.6 mt-10 -57.9 -60.43 3.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.16 -33.26 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.02 -54.67 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HA ' HG11 ' A' ' 111' ' ' VAL . 49.2 ttp180 -47.58 -35.38 9.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.64 -48.92 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -65.51 -45.11 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.674 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.1 t80 -62.1 -23.56 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 66.5 m-20 -86.53 -45.38 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.7 mm? -50.12 -17.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.591 ' CG2' HG13 ' A' ' 34' ' ' VAL . 16.3 t -107.52 -30.13 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 14.4 ptt85 -75.5 -30.75 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 48' ' ' GLN . 2.0 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG22 HH21 ' A' ' 70' ' ' ARG . 7.3 pt -120.14 -13.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.778 ' CB ' HG22 ' A' ' 69' ' ' VAL . 51.4 p-90 -142.49 141.73 32.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 48' ' ' GLN . 5.8 m -142.62 121.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -94.29 152.74 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 74.8 m-85 -132.35 98.78 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -100.86 174.71 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.425 ' CE1' HG12 ' A' ' 43' ' ' ILE . 72.3 m-85 -93.3 145.92 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.8 16.94 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.67 70.69 0.3 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.69 27.22 4.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 m -161.5 117.47 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.543 HD12 ' HB ' ' A' ' 12' ' ' ILE . 22.7 mt -64.68 139.55 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 12.1 m -156.24 141.67 12.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.752 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.8 Cg_exo -52.0 124.07 13.89 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.748 2.299 . . . . 0.0 112.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.6 -99.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -81.72 163.09 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.811 ' HG3' HG12 ' A' ' 34' ' ' VAL . 18.2 tt0 -160.27 139.92 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.05 169.51 34.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 13.39 33.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 4.4 t0 -112.53 103.13 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.5 t80 -52.3 -29.57 24.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -69.56 -25.27 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.04 -30.12 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.524 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -75.08 -44.02 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 88.1 mt -65.4 -17.47 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.19 0.95 46.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -108.25 -33.61 7.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.5 m -76.07 116.08 16.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.452 ' OG1' HG12 ' A' ' 63' ' ' VAL . 80.0 p -134.89 175.73 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.0 m-20 -76.31 5.98 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 62' ' ' ASP . 24.5 t70 -120.86 19.64 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 65' ' ' LEU . 8.2 p -161.46 152.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.531 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.48 133.45 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.72 173.35 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.629 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.3 m-85 -89.91 162.43 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -149.3 106.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 70.0 t80 -92.02 106.77 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.778 HG22 ' CB ' ' A' ' 33' ' ' TRP . 91.1 t -114.34 145.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 70' ' ' ARG . 1.7 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -176.74 127.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD21 HG12 ' A' ' 108' ' ' VAL . 3.6 tp -80.49 88.21 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 26.2 mt -73.52 103.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 87' ' ' THR . 5.4 m -88.31 99.91 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 56.7 t-105 -82.15 142.88 31.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 61.7 mt -149.15 100.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.875 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.71 132.01 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.61 0.76 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -116.75 -20.19 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.6 m -50.52 147.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.9 t -67.45 142.87 56.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.99 -59.49 0.59 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.4 tt -33.83 -69.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.492 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 11.6 mp0 -41.44 -46.22 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.54 -33.18 74.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.15 -15.94 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.605 ' HG2' HD23 ' A' ' 96' ' ' LEU . 5.6 mmpt? -95.37 -39.42 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -54.42 -39.2 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.66 -37.46 45.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.5 m -70.14 -32.11 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.582 ' HA ' HD13 ' A' ' 107' ' ' LEU . 22.5 m-20 -84.69 5.7 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.82 -33.86 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m -59.52 -20.54 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.758 ' N ' HD12 ' A' ' 107' ' ' LEU . 1.6 mp -83.14 -48.92 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.629 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -63.11 -30.6 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -68.47 -33.41 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 2.7 mm-40 -48.79 -42.18 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 18' ' ' ARG . 85.6 t -86.58 -33.48 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 21' ' ' TYR . 75.7 t -102.57 93.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -120.58 -32.21 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.58 -21.13 65.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -59.04 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.49 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 13.7 tttp -160.63 163.56 32.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pp20? -88.13 123.53 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 132' ' ' ILE . 7.5 m-30 -99.02 100.58 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 120' ' ' VAL . 2.6 p -82.35 101.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.813 HG21 HD22 ' A' ' 127' ' ' LEU . 22.4 mt -109.76 145.55 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 p -119.68 -16.92 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.51 ' CG ' ' HZ3' ' A' ' 125' ' ' LYS . 3.9 t0 -119.01 127.19 53.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.481 ' HA ' HD23 ' A' ' 127' ' ' LEU . 24.5 mtm180 -52.43 -36.86 55.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.51 ' HZ3' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -53.83 -14.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 18.9 mt-10 -102.62 -17.4 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -68.19 -13.96 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.2 mt-10 -49.99 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' GLU . 7.0 pt-20 -36.53 -34.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.37 -48.69 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.98 -34.77 78.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.8 mm -62.45 -54.31 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -56.18 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 m -42.99 -37.88 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 42' ' ' THR . 10.0 mtpp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.61 152.67 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.7 t0 -91.13 43.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 13' ' ' ASP . 4.9 mtmp? -21.97 -50.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' ASP . 7.5 pt-20 -54.07 -56.97 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.64 -38.21 77.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.46 -59.03 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 19' ' ' ALA . 4.3 tmm_? -47.02 -41.04 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 23' ' ' LEU . . . -60.98 -47.47 86.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.91 81.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -66.47 -16.9 64.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -91.23 -38.61 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -57.62 -19.25 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.34 -37.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -73.74 -26.79 60.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 HD23 ' A' ' 23' ' ' LEU . 3.9 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.793 0.33 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.94 -14.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 p-90 -142.33 144.82 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 48' ' ' GLN . 2.9 m -145.01 123.34 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -95.04 152.78 18.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 80.6 m-85 -130.59 97.29 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 174.16 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -94.64 147.48 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.9 t0 -119.96 14.85 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.22 75.98 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.84 22.92 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 11' ' ' LYS . 19.7 m -158.88 133.16 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.66 137.39 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 13' ' ' ASP . 32.7 m -149.84 140.92 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.6 Cg_exo -52.01 116.9 3.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.98 -112.33 0.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.67 166.8 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.7 tt0 -163.05 140.9 7.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.02 171.86 35.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.95 -16.15 21.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 22.9 t0 -83.62 104.87 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.6 ' HE2' HG11 ' A' ' 69' ' ' VAL . 4.6 t80 -54.94 -29.07 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -68.66 -21.61 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -80.07 -27.54 39.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.34 -41.88 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 56' ' ' ILE . 95.4 mt -68.63 -16.68 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 4.8 mm-40 -85.64 3.01 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -109.1 -30.69 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -78.63 116.03 18.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.478 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 21.4 p -132.88 177.98 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.72 7.47 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.28 20.03 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' LEU . 11.9 p -157.39 153.77 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.747 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -146.95 126.14 12.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.849 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -163.15 168.83 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 108' ' ' VAL . 7.5 m-85 -87.69 161.84 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -147.79 109.51 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 72.3 t80 -95.2 107.14 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.4 t -113.17 144.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 14.9 ttt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.525 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 2.5 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.35 129.39 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.74 HD21 ' CG1' ' A' ' 108' ' ' VAL . 7.2 tp -81.49 94.77 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.424 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt -75.0 99.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.8 m -81.64 100.61 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.2 t-105 -85.62 141.62 29.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.501 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 55.4 mt -147.97 100.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.746 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.35 136.29 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -77.93 9.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -116.07 -27.89 6.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 90' ' ' GLY . 28.2 m -51.07 146.09 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.204 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLY . 23.2 t -61.39 141.02 57.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -37.17 -52.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.0 tt -39.68 -67.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -39.88 -48.22 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -65.61 -33.72 76.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -75.9 -17.72 59.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -95.17 -38.33 10.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -56.68 -32.41 65.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.89 -32.2 57.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.5 m -77.82 -40.84 39.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.44 -9.15 55.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -58.67 -35.76 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.477 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 19.0 m -58.24 -23.13 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 107' ' ' LEU . 5.3 mt -77.31 -50.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.74 ' CG1' HD21 ' A' ' 85' ' ' LEU . 40.4 t -63.42 -30.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.449 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 1.5 tmmm? -65.91 -42.97 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LYS . 1.8 mm-40 -37.3 -39.33 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.3 -44.89 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 21' ' ' TYR . 89.0 t -90.58 98.73 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.17 -37.81 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 6.7 t30 -61.43 -29.18 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.05 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 -66.77 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 6.8 tttp -162.53 165.98 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -88.49 127.19 35.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.2 m-30 -101.28 106.75 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.441 HG23 ' OE2' ' A' ' 118' ' ' GLU . 64.6 t -83.38 100.44 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.847 HG21 HD22 ' A' ' 127' ' ' LEU . 31.5 mt -112.58 142.47 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.415 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.62 -17.14 8.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -117.14 126.9 53.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HA ' HD23 ' A' ' 127' ' ' LEU . 18.7 mtm180 -51.9 -35.6 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -53.46 -15.77 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.9 mt-10 -103.48 -16.09 15.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -69.1 -14.12 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' PHE . 10.1 mt-10 -50.0 106.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 47.1 tt0 -39.33 -35.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -56.91 -44.06 82.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 35.2 t80 -67.84 -36.49 80.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.415 HG23 ' CD2' ' A' ' 119' ' ' PHE . 34.3 mm -57.9 -48.75 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.98 -58.31 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.0 t -40.63 -39.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.727 0.299 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.3 tt -145.03 150.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -92.08 49.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 13' ' ' ASP . 28.8 mtpt -26.3 -43.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -56.84 -58.79 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -71.04 -32.88 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 111' ' ' VAL . 33.9 m -62.99 -52.8 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 24.0 ttp180 -51.6 -34.1 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.876 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -66.33 -47.33 73.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.575 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -67.33 -44.79 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.9 OUTLIER -67.27 -17.24 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 83.1 m-20 -92.11 -43.42 9.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -53.29 -16.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.1 p -106.03 -39.7 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -28.94 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -119.34 -15.62 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.9 p-90 -139.27 144.59 38.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.746 HG12 ' HG3' ' A' ' 48' ' ' GLN . 22.6 m -144.24 134.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -104.57 153.11 21.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -127.98 96.39 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.53 171.41 7.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CE2' HG12 ' A' ' 43' ' ' ILE . 81.8 m-85 -97.27 147.44 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -119.98 9.11 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 131.54 70.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.571 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.03 22.1 5.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -153.37 118.91 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 38' ' ' TYR . 32.1 mt -66.51 136.05 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG12 ' CG ' ' A' ' 13' ' ' ASP . 31.6 m -150.43 146.09 19.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.19 113.24 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.53 -99.59 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' OE1' ' A' ' 58' ' ' GLN . 10.6 m-20 -90.35 169.38 11.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.746 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.0 tt0 -163.65 139.99 6.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 171.82 38.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.06 -21.68 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 9.1 t0 -82.69 105.69 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.767 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.32 -27.69 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -67.96 -23.43 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.11 -28.21 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.665 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.43 -42.3 44.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 86.4 mt -67.58 -17.19 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -85.28 2.02 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.412 ' OE1' ' OD1' ' A' ' 47' ' ' ASP . 11.9 mm-40 -107.34 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 60.3 m -75.81 116.59 16.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.857 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.8 p -130.19 172.07 12.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 4.9 p30 -77.18 0.4 21.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -119.64 18.2 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.1 p -153.06 152.47 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.541 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -144.17 136.52 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.757 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -173.45 164.78 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 108' ' ' VAL . 15.8 m-85 -81.44 158.05 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -146.91 101.46 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 24' ' ' VAL . 6.9 t80 -90.18 118.26 29.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' A' ' 52' ' ' TYR . 29.9 t -121.77 143.64 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.545 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.545 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 3.7 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.57 125.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 118' ' ' GLU . 11.1 tp -76.0 90.58 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 121' ' ' ILE . 18.4 mt -70.47 100.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.1 m -85.78 101.22 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.5 t-105 -84.72 143.52 29.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 90' ' ' GLY . 59.9 mt -150.2 99.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.26 138.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.94 11.16 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.45 -28.59 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 90' ' ' GLY . 33.9 m -50.46 146.39 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 40.5 t -63.37 145.01 56.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -34.71 -58.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' ALA . 6.5 tp -33.97 -70.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.505 ' OE1' ' NE ' ' A' ' 64' ' ' ARG . 1.7 mm-40 -38.97 -39.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -77.07 -33.46 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.54 -17.4 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -96.91 -50.33 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.8 m -47.21 -32.35 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.11 -27.95 51.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.4 m -79.55 -33.83 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -77.83 -2.21 35.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -59.62 -37.17 77.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.521 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 22.6 m -55.52 -23.29 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 107' ' ' LEU . 5.0 mt -79.02 -49.87 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 66' ' ' PHE . 33.7 t -63.34 -31.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -66.54 -39.65 88.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.46 -42.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 17' ' ' CYS . 75.7 t -80.49 -48.67 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.53 ' HB ' ' CD2' ' A' ' 21' ' ' TYR . 2.6 p -100.43 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -119.88 -29.66 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.2 t30 -63.69 -26.36 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -52.61 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.27 -66.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 1.8 ttmt -164.91 157.04 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 5.2 pt-20 -84.87 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CD2' HG23 ' A' ' 132' ' ' ILE . 10.5 m-30 -108.85 106.9 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.2 t -82.73 100.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.742 HG21 HD22 ' A' ' 127' ' ' LEU . 23.6 mt -110.94 144.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.441 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -118.41 -18.88 9.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -114.55 124.68 52.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 127' ' ' LEU . 16.3 mtm105 -51.75 -35.52 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -15.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.507 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -102.66 -15.88 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -68.71 -14.72 63.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.4 mt-10 -49.95 105.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 41.9 tt0 -37.11 -34.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -56.69 -47.3 80.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 128' ' ' GLU . 51.9 t80 -66.36 -36.77 83.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.473 HG23 ' CD2' ' A' ' 119' ' ' PHE . 32.0 mm -56.82 -52.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -58.6 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.4 m -41.01 -44.49 2.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 13.1 tt -134.18 143.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.9 m-20 -82.45 44.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.5 mtmp? -22.53 -49.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.5 pt-20 -53.33 -58.91 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.89 -35.2 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.13 -62.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 31.8 ttp180 -43.56 -38.37 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.076 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.46 -45.8 85.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.3 t80 -60.64 -21.09 62.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.4 m-20 -88.58 -44.86 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.7 mm? -52.18 -18.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 HG12 ' A' ' 31' ' ' VAL . 20.7 t -104.99 -40.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 114' ' ' ASN . 3.9 ttt85 -65.83 -32.81 74.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.5 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' CD ' ' A' ' 48' ' ' GLN . 2.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -120.77 -16.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 43.3 p-90 -140.03 156.78 46.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.3 p -155.23 139.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 p -110.5 151.35 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 m-85 -129.18 97.9 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -97.81 172.19 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 43' ' ' ILE . 89.1 m-85 -91.85 147.07 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.3 t0 -119.89 17.6 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.76 73.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.82 24.21 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -158.05 123.75 4.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.642 HD13 ' CG2' ' A' ' 108' ' ' VAL . 24.7 mt -70.78 133.88 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.7 m -148.46 147.14 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.06 117.22 3.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.279 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.09 -104.57 1.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 18.9 m-20 -86.81 167.71 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.612 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.3 tt0 -168.21 150.47 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.93 174.83 38.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.41 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.25 -12.69 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.14 104.51 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 4.2 t80 -53.12 -29.51 31.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -69.33 -23.32 63.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -77.44 -27.85 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.11 -45.95 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 90.8 mt -63.62 -21.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 6.1 mm-40 -80.59 1.38 29.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.43 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 15.2 mm-40 -105.31 -45.87 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HB2' ' CD1' ' A' ' 88' ' ' TRP . 4.9 p -67.99 116.11 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.508 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 26.1 p -129.35 -179.75 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.89 3.26 20.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.08 18.61 12.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 65' ' ' LEU . 7.3 p -156.46 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -147.88 123.73 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.824 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.13 165.03 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -84.8 155.1 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.25 103.54 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 78.2 t80 -89.51 111.84 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG11 ' CE2' ' A' ' 52' ' ' TYR . 10.8 t -117.53 145.55 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 2.3 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 20.4 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.02 126.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 12.9 tp -87.47 93.85 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG23 HD12 ' A' ' 121' ' ' ILE . 19.5 mt -76.97 103.71 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 119' ' ' PHE . 16.6 m -84.8 100.82 11.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.582 ' CD1' ' HB2' ' A' ' 59' ' ' CYS . 58.6 t-105 -81.92 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.904 HG21 ' HG2' ' A' ' 98' ' ' ARG . 75.2 mt -153.98 99.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.24 136.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.439 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.54 6.14 15.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.56 -21.18 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.473 HG11 ' HD2' ' A' ' 64' ' ' ARG . 2.6 t -50.69 159.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 24.7 t -74.46 134.66 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.86 -47.9 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.466 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.585 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.9 tt -55.03 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.449 ' HB2' HG12 ' A' ' 93' ' ' VAL . 11.6 mt-30 -51.96 -37.87 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.904 ' HG2' HG21 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -75.26 -29.25 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.41 -9.28 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.585 ' CG ' HD23 ' A' ' 96' ' ' LEU . 9.2 mmpt? -92.25 -39.88 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -55.99 -40.63 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.59 89.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.8 m -72.0 -38.73 69.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.3 m-20 -73.7 -7.06 50.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -58.48 -35.42 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -57.56 -23.92 53.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.479 ' N ' HD23 ' A' ' 107' ' ' LEU . 3.3 mt -80.67 -51.55 8.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 66' ' ' PHE . 43.8 t -60.74 -31.49 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -66.83 -38.26 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.78 -38.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.58 -43.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 21' ' ' TYR . 80.4 t -93.19 99.49 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -123.05 -32.03 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 25' ' ' ARG . 2.5 p-10 -67.79 -26.84 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.49 -170.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.615 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.6 tttp -161.15 163.65 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -88.19 123.56 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.8 m-30 -99.2 101.67 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 120' ' ' VAL . 3.3 p -82.33 100.49 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 127' ' ' LEU . 33.7 mt -109.54 143.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 p -119.8 -16.76 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.8 126.37 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -50.84 -36.64 38.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.59 -16.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.7 mt-10 -103.58 -19.09 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -66.44 -13.77 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' PHE . 6.9 mt-10 -50.32 106.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 31.4 tt0 -38.77 -36.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -55.57 -44.45 76.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.51 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 41.0 t80 -68.15 -35.25 77.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.6 mm -59.2 -49.87 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -49.76 -60.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 t -39.34 -41.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 11' ' ' LYS . 4.1 mmpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 15.7 tt -129.66 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -91.9 44.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.6 mtpp -22.13 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.1 mt-10 -55.93 -61.31 2.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -63.98 -31.84 73.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 m -65.47 -55.56 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -40.08 -40.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.805 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.2 -51.6 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -64.22 -45.45 88.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.0 t80 -62.21 -21.26 64.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -91.45 -42.88 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.6 mm? -50.36 -16.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 70' ' ' ARG . 2.1 p -112.14 -37.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ttt180 -67.02 -31.07 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' H ' ' A' ' 49' ' ' GLY . 58.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.846 0.355 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 pt -112.63 -11.33 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.529 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 40.4 p-90 -143.8 145.66 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.747 HG12 ' HG2' ' A' ' 48' ' ' GLN . 33.1 m -147.43 130.24 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -99.93 158.44 15.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 63.0 m-85 -134.24 95.48 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -99.93 172.19 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 43' ' ' ILE . 69.9 m-85 -92.82 143.18 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -116.73 14.22 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.58 73.57 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 22.2 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -157.44 120.9 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 38' ' ' TYR . 13.8 mt -69.74 139.84 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG12 ' CG ' ' A' ' 13' ' ' ASP . 11.8 m -154.69 149.74 20.52 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 120.1 6.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.42 -97.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.94 176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.747 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.6 mt-30 -159.18 155.83 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' HG13 ' A' ' 31' ' ' VAL . . . 158.62 164.85 14.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.62 -16.74 28.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.02 103.44 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.699 ' HE2' HG11 ' A' ' 69' ' ' VAL . 6.1 t80 -54.77 -26.53 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 8.5 mm-40 -68.41 -21.97 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -78.97 -28.08 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.78 -42.55 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.75 -17.68 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -84.07 1.92 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -108.12 -30.25 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 61.4 m -76.7 115.73 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.541 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.5 p -130.29 172.37 11.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.7 p-10 -75.64 2.54 11.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -120.18 19.77 12.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.578 HG22 HD12 ' A' ' 65' ' ' LEU . 9.1 p -156.08 152.93 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.24 135.24 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.765 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.9 166.77 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 12.7 m-85 -82.07 157.2 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -143.83 102.46 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 24' ' ' VAL . 9.1 t80 -91.56 114.89 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.699 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.1 t -120.72 144.7 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB2' HG22 ' A' ' 24' ' ' VAL . 21.9 ttt180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.406 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.7 134.52 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.2 92.07 6.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 19.5 mt -73.8 100.14 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 m -84.45 100.05 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.584 ' CH2' ' O ' ' A' ' 122' ' ' SER . 59.6 t-105 -84.2 138.1 33.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 48.7 mt -146.23 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.968 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.39 122.01 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -3.0 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -108.8 -22.75 12.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 90' ' ' GLY . 19.2 m -53.66 150.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 66.4 m -58.52 131.84 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.53 -54.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 99' ' ' ALA . 2.9 tt -39.36 -65.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -38.83 -44.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.3 tmt_? -68.97 -37.12 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -70.14 -17.42 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -41.8 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -51.83 -38.13 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.34 71.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -73.41 -36.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 m-20 -73.21 -3.49 27.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HD3' ' CD ' ' A' ' 118' ' ' GLU . 6.3 ttpt -67.52 -32.98 74.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.5 m -52.08 -24.23 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -83.18 -52.9 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 66' ' ' PHE . 20.9 t -59.37 -29.21 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.8 -29.88 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 21.7 mm-40 -50.23 -48.23 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.431 HG13 HG23 ' A' ' 112' ' ' VAL . 7.6 p -80.11 -39.19 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.764 HG22 ' CD1' ' A' ' 21' ' ' TYR . 37.3 t -96.99 99.17 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.83 -36.32 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.7 m120 -61.81 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -51.92 -172.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.33 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 16.3 tttt -160.89 164.97 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pt-20 -88.1 130.32 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.553 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.0 m-30 -102.78 100.4 10.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.76 102.35 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.757 HG21 HD22 ' A' ' 127' ' ' LEU . 32.8 mt -115.12 146.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.584 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.48 -21.85 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.77 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -53.74 -33.46 55.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 19.9 mmtt -53.92 -18.71 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 15.8 mt-10 -101.82 -13.85 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.757 HD22 HG21 ' A' ' 121' ' ' ILE . 3.7 mm? -70.54 -15.65 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' PHE . 5.7 mt-10 -50.05 106.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -36.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 1.2 p30 -55.49 -46.09 76.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 56.6 t80 -66.57 -36.03 81.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.553 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.3 mm -55.27 -50.39 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -51.51 -58.94 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -40.47 -38.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 tt -145.33 138.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.541 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.1 m-20 -81.53 47.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 13' ' ' ASP . 65.8 mttt -25.56 -48.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ASP . 10.3 pt-20 -53.32 -54.53 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -72.36 -34.0 67.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -62.31 -60.59 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 47.7 ttp180 -44.96 -42.46 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.86 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.028 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.47 -40.1 95.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -22.2 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 50.1 m-20 -86.16 -46.92 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 2.5 mm? -48.0 -20.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.5 p -104.72 -27.61 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -77.64 -25.6 49.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 92.8 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.728 0.299 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 pt -119.97 -14.58 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 51.0 p-90 -142.72 163.8 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.7 p -161.88 140.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 p -109.43 155.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 83.1 m-85 -133.67 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -99.97 175.76 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 43' ' ' ILE . 53.2 m-85 -100.4 146.74 26.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -121.05 17.9 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.39 66.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 26.47 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -155.73 112.63 3.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 38' ' ' TYR . 17.9 mt -63.19 139.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.6 m -155.35 142.72 13.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.13 107.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.767 2.312 . . . . 0.0 112.258 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.02 -96.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -92.37 169.66 10.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 27.2 tt0 -169.97 146.82 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.38 176.68 41.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.37 -27.16 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 106.96 12.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.76 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.9 t80 -54.38 -27.15 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -67.01 -23.61 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -76.79 -28.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -76.12 -45.3 34.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.02 -19.35 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.471 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.1 mm-40 -81.18 0.84 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -107.71 -30.36 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.8 m -76.89 116.0 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.632 ' OG1' HG12 ' A' ' 63' ' ' VAL . 39.6 p -134.43 172.81 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.18 5.12 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.01 17.11 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -155.77 161.18 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.554 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -152.54 124.94 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.52 169.8 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.1 m-85 -88.23 154.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -141.9 109.82 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 29.2 t80 -94.27 109.97 21.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HE2' ' A' ' 52' ' ' TYR . 55.6 t -113.07 140.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 43.2 ttt-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 14.9 m-85 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.97 125.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.2 tp -81.39 85.63 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.686 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -69.81 105.29 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 83.5 m -90.8 99.84 12.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 58.1 t-105 -81.36 144.96 31.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.874 HG21 ' HG2' ' A' ' 98' ' ' ARG . 72.4 mt -151.42 101.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -36.11 133.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.43 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.07 -10.6 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.79 -22.55 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 97' ' ' GLN . 7.3 t -50.76 149.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.4 t -65.94 132.8 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.58 -39.47 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.423 HD23 ' HG3' ' A' ' 100' ' ' LYS . 6.1 tt -59.08 -65.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB2' HG12 ' A' ' 93' ' ' VAL . 10.6 mm-40 -50.15 -35.65 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.874 ' HG2' HG21 ' A' ' 89' ' ' ILE . 6.5 tmm_? -74.95 -27.1 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.34 49.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 5.5 mmpt? -92.38 -41.8 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.5 m -51.84 -39.78 59.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.04 77.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.6 m -75.15 -36.88 61.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.77 -1.09 20.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.19 -35.49 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.3 m -54.09 -24.23 16.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -81.46 -49.48 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 66' ' ' PHE . 94.1 t -60.17 -34.41 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -64.28 -37.07 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.43 -28.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.4 t -98.22 -34.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -102.35 99.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.93 -27.49 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 15.93 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -96.78 -166.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -91.67 -69.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 12.6 tttp -168.13 161.35 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 2.8 pt-20 -81.55 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -107.28 100.36 9.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.6 t -79.19 100.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 127' ' ' LEU . 16.2 mt -112.3 140.16 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.492 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -116.88 -19.13 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -114.06 125.09 53.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -51.1 -38.12 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -50.87 -16.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 8.8 mt-10 -102.04 -19.96 14.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.768 HD22 HG21 ' A' ' 121' ' ' ILE . 2.2 mm? -66.12 -15.46 63.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 106.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.778 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -38.85 -35.9 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -67.09 -37.38 83.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.6 mm -54.3 -47.83 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -58.2 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.2 t -40.99 -34.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.517 ' C ' HG23 ' A' ' 42' ' ' THR . 7.7 mmmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.719 0.295 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' THR . 12.8 tt -140.81 144.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -83.01 44.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.6 mtpt -25.46 -43.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.2 mt-10 -58.23 -59.85 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.8 -31.61 70.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.74 -55.11 19.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HA ' HG11 ' A' ' 111' ' ' VAL . 38.0 ttp180 -48.89 -32.33 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.31 -48.34 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.73 -42.84 85.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -68.54 -15.72 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 22.7 m-20 -88.61 -36.39 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB3' HG11 ' A' ' 31' ' ' VAL . 1.5 mm? -58.69 -27.14 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 31' ' ' VAL . 55.7 t -95.39 -29.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 11.8 ptt85 -75.01 -25.15 58.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.902 HG21 ' HG2' ' A' ' 48' ' ' GLN . 2.6 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.825 0.345 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -123.13 -10.51 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.8 p-90 -145.6 143.17 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.002 HG12 ' HG3' ' A' ' 48' ' ' GLN . 30.7 m -142.3 122.48 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 67' ' ' ALA . 5.4 p -93.89 153.0 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 82.1 m-85 -132.81 99.58 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 43' ' ' ILE . 86.6 m-85 -94.01 146.39 23.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -116.14 15.14 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.17 -85.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.98 13.24 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 11' ' ' LYS . 29.9 m -155.38 147.75 23.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.2 mt -82.99 145.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 13' ' ' ASP . 30.5 m -152.0 150.47 25.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.726 0.774 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.94 118.94 4.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.793 2.329 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.76 -90.69 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 172.79 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 1.002 ' HG3' HG12 ' A' ' 34' ' ' VAL . 5.1 tt0 -162.83 128.75 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 33' ' ' TRP . . . -175.32 163.74 33.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -21.27 23.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.705 0.288 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -81.04 108.99 15.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.85 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.4 t80 -55.96 -29.69 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 32.7 mm-40 -68.09 -20.25 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -80.78 -26.07 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -78.8 -41.17 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.56 -17.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -82.99 1.01 42.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -107.95 -28.32 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.3 m -80.45 117.81 21.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.532 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.0 p -134.94 171.23 14.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 84.0 m-20 -74.0 1.95 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -120.03 19.82 12.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.56 HG22 HD12 ' A' ' 65' ' ' LEU . 11.0 p -157.01 155.14 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -148.21 134.22 19.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.41 166.93 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.749 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.7 m-85 -87.38 161.18 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 35' ' ' THR . . . -150.61 112.25 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 80.2 t80 -94.1 110.12 21.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 33' ' ' TRP . 15.2 t -115.29 141.69 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 8.5 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.03 127.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 7.4 tp -84.92 90.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 20.0 mt -74.87 100.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.1 m -86.52 100.37 12.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.531 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.5 t-105 -81.83 144.58 30.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 67.3 mt -150.97 99.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.77 129.68 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.81 -17.36 62.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 19.7 t70 -94.57 -18.78 21.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 97' ' ' GLN . 17.7 t -51.08 145.15 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 95' ' ' GLY . 32.3 t -65.08 133.93 52.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.24 -39.01 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 100' ' ' LYS . 2.0 tm? -56.93 -60.82 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.584 ' HB2' HG12 ' A' ' 93' ' ' VAL . 4.6 mm100 -57.19 -36.04 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.2 ttp85 -72.57 -33.39 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.53 -5.07 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.25 -44.89 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.1 m -52.06 -34.97 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.46 -36.43 77.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 m -70.22 -39.69 74.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 36.5 m-20 -74.92 -4.33 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 2.9 ttpm? -62.45 -34.82 77.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.5 m -55.59 -23.15 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.3 mt -79.24 -48.14 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.749 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.5 t -64.11 -34.41 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.91 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -48.94 -40.84 31.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.531 HG11 ' HA ' ' A' ' 18' ' ' ARG . 80.9 t -85.39 -40.3 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 21' ' ' TYR . 87.9 t -96.8 96.07 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.98 -36.89 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.661 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.87 -170.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.97 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.661 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.7 tttp -160.12 164.32 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.0 pm0 -88.05 121.93 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -98.71 101.45 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.3 t -80.21 100.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 127' ' ' LEU . 10.6 mt -112.76 139.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.485 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 1.5 m -119.39 -15.28 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -118.49 127.79 53.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -52.57 -36.51 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.78 -16.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 mt-10 -103.65 -17.36 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -67.75 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLU . 11.2 mt-10 -50.22 103.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 26.1 tt0 -36.09 -35.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.67 -48.84 69.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 23.9 t80 -66.92 -35.83 80.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.5 mm -59.43 -53.17 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -57.75 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.1 t -41.07 -41.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.77 0.319 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 14.7 tt -136.07 139.86 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.8 m-20 -80.73 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.0 mtpp -25.34 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -53.3 -55.4 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -73.52 -33.04 64.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 27.0 m -61.3 -59.91 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -47.82 -37.34 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.79 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.34 -49.33 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.89 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -63.09 -18.0 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' ' HD3' ' A' ' 18' ' ' ARG . 75.7 m-20 -91.06 -39.72 12.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.1 mm? -55.97 -19.57 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' A' ' 31' ' ' VAL . 2.9 t -103.47 -39.44 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.647 HH12 ' ND2' ' A' ' 114' ' ' ASN . 2.0 ttt85 -69.93 -29.77 67.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.691 HG12 ' CG2' ' A' ' 24' ' ' VAL . 15.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -120.67 -17.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.707 ' CB ' HG22 ' A' ' 69' ' ' VAL . 55.8 p-90 -137.39 146.77 44.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.736 HG12 ' HG3' ' A' ' 48' ' ' GLN . 7.0 m -146.64 118.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 p -91.32 152.3 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 84.1 m-85 -130.41 97.73 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -97.78 172.81 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.83 146.88 23.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -119.31 14.14 12.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.97 73.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.85 25.89 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -160.34 126.2 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.457 HD13 HG23 ' A' ' 108' ' ' VAL . 18.0 mt -73.56 132.66 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 m -147.79 144.69 19.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.556 0.694 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.7 Cg_exo -52.05 122.17 10.08 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.723 2.282 . . . . 0.0 112.273 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.59 -102.0 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 173.31 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.736 ' HG3' HG12 ' A' ' 34' ' ' VAL . 12.9 tt0 -167.01 137.15 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 174.88 169.14 36.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.45 -16.93 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.45 105.85 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.42 -28.49 44.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.68 -20.51 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -82.06 -26.6 33.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -78.74 -41.65 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 56' ' ' ILE . 90.4 mt -68.64 -17.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.065 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.466 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.0 mm-40 -85.12 2.6 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -110.3 -26.92 9.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 62.3 m -81.56 113.25 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.472 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 4.1 p -128.12 179.42 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.98 2.01 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -119.49 19.29 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 65' ' ' LEU . 13.8 p -154.65 158.4 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.75 128.2 10.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -164.2 162.87 22.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG21 ' A' ' 108' ' ' VAL . 19.4 m-85 -79.43 160.56 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.82 103.29 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 34' ' ' VAL . 70.4 t80 -90.34 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 33' ' ' TRP . 96.7 t -114.26 143.36 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 25.9 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 10.1 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.01 127.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 HG12 ' A' ' 108' ' ' VAL . 9.9 tp -85.78 87.35 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 121' ' ' ILE . 18.8 mt -72.32 104.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 119' ' ' PHE . 17.8 m -88.02 99.99 12.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.6 t-105 -79.83 144.33 33.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.765 HG21 ' HG3' ' A' ' 98' ' ' ARG . 68.1 mt -151.4 100.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.484 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.59 134.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.59 -9.55 58.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.49 -21.5 14.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' HA3' ' A' ' 90' ' ' GLY . 17.2 t -50.54 148.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 33.1 t -70.07 131.74 44.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -32.35 -39.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' SER . 1.6 tm? -52.59 -62.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.468 ' HB2' HG12 ' A' ' 93' ' ' VAL . 9.8 mm100 -59.02 -35.38 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.765 ' HG3' HG21 ' A' ' 89' ' ' ILE . 36.8 ttt180 -73.38 -26.52 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -89.77 -8.47 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 -43.58 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -50.42 -36.35 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.75 -33.57 76.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.3 m -73.77 -40.15 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 13.5 m-20 -68.05 -3.3 9.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HD2' ' CD ' ' A' ' 118' ' ' GLU . 5.2 ttpp -66.3 -32.41 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -54.32 -23.79 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.535 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -84.96 -53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 66' ' ' PHE . 99.7 t -56.96 -34.14 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -65.2 -32.56 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 24.2 mm-40 -48.02 -41.08 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.3 t -84.87 -42.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 21' ' ' TYR . 98.5 t -93.34 98.41 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -124.72 -31.12 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.647 ' ND2' HH12 ' A' ' 25' ' ' ARG . 37.7 t30 -69.83 -25.75 63.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.83 -170.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.38 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 7.3 tttm -161.52 161.19 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 9.4 pt-20 -84.69 133.33 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.4 m-30 -107.66 100.02 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.14 100.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.817 HG21 HD22 ' A' ' 127' ' ' LEU . 23.5 mt -114.35 142.58 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.455 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.64 -16.78 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -117.25 126.45 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -51.44 -36.9 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -16.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.2 mt-10 -102.98 -18.64 14.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.817 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -66.92 -14.27 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.33 106.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 10.3 pm0 -39.88 -31.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.461 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 25.6 m-20 -58.13 -45.12 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.32 -37.21 80.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.37 -50.75 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -59.44 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 t -39.13 -38.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.546 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.3 tt -128.97 145.54 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.6 t0 -78.69 44.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.1 mttt -22.94 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -55.93 -57.69 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.97 -37.64 78.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 53.3 m -59.79 -59.58 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HA ' HG11 ' A' ' 111' ' ' VAL . 17.6 ttp180 -44.75 -40.92 6.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.558 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.24 -49.64 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.23 -45.28 88.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.9 t80 -62.19 -20.79 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 72.8 m-20 -90.94 -43.15 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.71 -18.63 3.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' VAL . 55.1 t -105.7 -39.76 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.8 OUTLIER -68.71 -32.62 72.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 24' ' ' VAL . 2.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.76 0.314 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 pt -119.72 -12.48 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.6 p-90 -145.61 161.83 38.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.015 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.2 p -160.94 138.99 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.006 0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p -110.84 151.94 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 55.1 m-85 -130.42 96.88 4.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -99.25 171.86 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 43' ' ' ILE . 66.4 m-85 -93.48 149.16 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' VAL . 4.6 t0 -119.44 14.3 12.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.84 74.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.81 23.35 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -159.7 125.26 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.3 mt -68.11 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 39' ' ' ASP . 34.2 m -155.75 141.39 12.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_exo -52.05 113.47 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.32 -108.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -84.13 171.39 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.4 tt0 -172.26 139.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.14 -177.24 47.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 4.23 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.9 t70 -107.97 100.29 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.722 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.1 t80 -51.33 -29.45 15.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -67.96 -31.99 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -68.89 -36.05 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.02 -40.2 90.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.58 -18.4 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -80.47 -1.67 42.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -106.6 -33.31 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -76.22 113.7 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.452 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.1 p -131.9 178.18 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 16.9 m-20 -78.61 5.76 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -121.59 19.92 11.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG22 HD12 ' A' ' 65' ' ' LEU . 13.2 p -157.99 155.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.573 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.83 133.31 18.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.786 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.94 172.98 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.628 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.4 m-85 -88.24 158.78 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.44 107.57 4.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 58.1 t80 -94.67 108.18 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.722 HG11 ' CE2' ' A' ' 52' ' ' TYR . 46.6 t -113.03 144.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 18.6 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.56 131.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 108' ' ' VAL . 8.7 tp -88.93 86.53 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 17.8 mt -72.47 105.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' PHE . 54.2 m -86.71 100.06 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CE3' HD21 ' A' ' 127' ' ' LEU . 57.9 t-105 -81.83 141.2 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 65.3 mt -147.19 99.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.91 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.83 131.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -75.08 5.06 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 9.0 t0 -117.08 -23.9 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.2 144.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLY . 9.1 t -68.26 144.37 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.06 -59.75 0.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.451 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.5 tt -33.74 -62.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -47.25 -46.96 24.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -67.57 -31.8 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.93 -16.51 56.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.14 -33.85 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -63.61 -34.81 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -76.08 -38.47 34.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -69.86 -29.02 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.564 ' HA ' HD13 ' A' ' 107' ' ' LEU . 51.7 m-20 -87.38 5.77 37.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 8.3 m -59.04 -22.51 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.731 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.2 mp -78.57 -49.58 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 66' ' ' PHE . 25.0 t -60.55 -33.52 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -64.79 -36.24 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 106' ' ' THR . 40.3 mm-40 -46.71 -41.91 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 18' ' ' ARG . 73.6 t -87.02 -37.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 21' ' ' TYR . 71.3 t -99.14 98.03 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -124.0 -32.45 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 10.5 t-20 -66.73 -27.05 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.89 -171.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.17 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.3 tttt -161.82 163.89 29.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pt-20 -85.14 129.16 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -104.65 99.97 9.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.696 ' O ' HG13 ' A' ' 120' ' ' VAL . 12.3 p -79.07 101.18 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 86' ' ' ILE . 6.0 mt -118.57 141.42 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.495 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -119.7 -16.01 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.51 124.06 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 127' ' ' LEU . 21.2 mtm180 -51.33 -35.79 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -16.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.502 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.0 mt-10 -102.69 -19.28 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 121' ' ' ILE . 4.3 mm? -64.88 -15.42 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.09 104.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 133' ' ' ARG . 31.9 tt0 -39.4 -34.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.47 -45.45 73.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.52 -37.2 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.7 mm -58.73 -47.04 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.458 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -52.0 -60.69 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.803 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -38.5 -38.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 11.7 tt -132.53 156.81 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.0 t0 -91.61 44.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.5 mtmt -22.37 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.8 mt-10 -55.55 -59.36 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.33 -37.78 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 47.9 m -59.11 -51.32 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttp180 -50.07 -36.41 29.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.65 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.457 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -66.79 -42.18 86.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 112' ' ' VAL . 3.5 t80 -67.87 -22.76 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 81.6 m-20 -88.26 -48.91 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD13 ' NE2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -46.14 -21.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.6 p -102.95 -39.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.43 HG21 HD22 ' A' ' 23' ' ' LEU . 85.7 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 pt -119.98 -18.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.2 p-90 -136.7 148.74 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -149.67 126.86 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p -97.47 155.54 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-85 -135.12 97.78 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -98.34 -179.83 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CE2' HG12 ' A' ' 43' ' ' ILE . 70.1 m-85 -103.77 149.48 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -122.93 14.66 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.32 70.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 24.16 5.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -154.58 122.6 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' CE2' ' A' ' 38' ' ' TYR . 25.3 mt -74.17 134.87 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 13' ' ' ASP . 27.3 m -148.1 143.29 17.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 111.065 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_exo -51.98 116.33 2.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.49 -110.98 0.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.48 174.08 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.632 ' HG3' HG12 ' A' ' 34' ' ' VAL . 11.4 tt0 -170.35 141.92 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.64 176.12 39.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 -17.73 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 106.11 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.821 ' HE2' HG11 ' A' ' 69' ' ' VAL . 3.4 t80 -54.91 -26.66 37.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -80.3 -27.26 38.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.02 -43.67 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.02 -17.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -84.92 2.23 43.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.69 -30.64 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.2 m -78.5 114.58 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.593 ' OG1' HG12 ' A' ' 63' ' ' VAL . 24.8 p -130.21 172.23 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 2.8 p30 -75.35 2.85 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.11 18.64 12.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.609 HG22 HD12 ' A' ' 65' ' ' LEU . 8.6 p -156.01 151.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.513 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.34 133.74 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.754 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.76 170.02 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.7 m-85 -84.22 156.38 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -143.38 100.1 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CD1' HG11 ' A' ' 24' ' ' VAL . 7.5 t80 -87.26 117.46 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.821 HG11 ' HE2' ' A' ' 52' ' ' TYR . 65.2 t -123.92 142.68 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.66 131.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.523 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.2 tp -86.73 93.12 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.582 HG23 HD12 ' A' ' 121' ' ' ILE . 11.2 mt -72.99 100.11 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' PHE . 30.5 m -81.16 100.11 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.9 t-105 -84.18 141.0 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.49 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 69.1 mt -148.15 99.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.862 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.26 127.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.462 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 7.4 pm0 -68.99 -2.28 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 8.9 t70 -107.85 -25.71 11.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 90' ' ' GLY . 15.6 m -50.53 147.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 4.1 m -62.56 130.79 46.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.22 -48.44 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -38.04 -65.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -45.45 -42.88 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -30.2 70.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.49 -19.31 56.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' THR . 22.0 mmmt -98.05 -58.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' LYS . 44.0 m -36.15 -40.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.3 -37.61 63.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.9 m -71.61 -36.79 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 8.5 m-20 -74.41 -4.79 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -60.97 -37.2 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 m -53.7 -25.0 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.1 mt -77.71 -49.92 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 66' ' ' PHE . 63.7 t -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -67.52 -40.6 85.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' LYS . 2.2 mm-40 -38.27 -40.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 18' ' ' ARG . 60.6 t -87.29 -28.88 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 109' ' ' LYS . 74.5 t -102.08 99.63 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -123.13 -36.8 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 115' ' ' PHE . 2.4 m120 -63.29 -29.14 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.44 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.79 -66.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 22.9 tttt -161.35 163.22 30.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.4 pt-20 -83.37 135.1 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -109.35 100.01 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.77 100.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 16.4 mt -114.25 142.31 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.432 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -118.51 -17.22 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.95 125.53 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -51.68 -36.68 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -51.88 -16.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.505 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 13.9 mt-10 -103.38 -18.09 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.3 mm? -67.11 -13.75 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.08 105.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 31.4 tt0 -39.63 -33.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -57.41 -44.65 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -67.17 -37.1 83.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.32 -50.26 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.484 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.3 OUTLIER -50.16 -58.7 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -39.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.1 tt -142.72 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.744 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.1 m-20 -85.17 43.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 13' ' ' ASP . 31.8 mtpt -23.19 -46.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.5 mt-10 -56.86 -60.26 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -66.85 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -63.7 -53.67 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 12.0 tpp180 -46.25 -39.09 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.78 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -62.39 -50.39 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.42 -42.07 98.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -67.0 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' HG3' ' A' ' 18' ' ' ARG . 69.9 m-20 -92.47 -45.04 8.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.786 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.3 mm? -50.9 -16.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.4 p -109.68 -38.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.3 ttt-85 -67.01 -32.61 73.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 77.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.779 0.324 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.92 -18.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.527 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.0 p-90 -135.97 145.58 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.668 HG12 ' HG3' ' A' ' 48' ' ' GLN . 18.5 m -145.13 124.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -96.02 154.12 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.09 95.95 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -95.93 174.47 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 43' ' ' ILE . 80.9 m-85 -99.22 145.56 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -119.96 14.15 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.97 71.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.89 23.99 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -153.85 114.15 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 108' ' ' VAL . 20.4 mt -68.78 126.41 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.744 HG12 ' CG ' ' A' ' 13' ' ' ASP . 33.1 m -139.97 149.18 57.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.07 114.32 1.58 Allowed 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.761 2.307 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.21 -102.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.93 166.7 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.668 ' HG3' HG12 ' A' ' 34' ' ' VAL . 16.1 tt0 -160.65 140.23 10.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.12 41.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.21 -25.7 15.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -79.85 105.41 11.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.79 ' HE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.77 -27.55 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -66.84 -20.3 65.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -81.72 -26.39 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -77.57 -41.04 40.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.83 -17.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -84.12 3.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -110.93 -23.76 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.4 m -84.3 117.32 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.588 ' OG1' HG12 ' A' ' 63' ' ' VAL . 10.8 p -128.42 179.59 5.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 9.4 m-20 -84.06 4.2 31.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.06 18.64 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' OG1' ' A' ' 60' ' ' THR . 11.2 p -151.78 160.61 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.743 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -151.15 139.85 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.875 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -175.56 156.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.88 ' CE1' HG21 ' A' ' 108' ' ' VAL . 33.2 m-85 -75.55 161.07 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.13 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD1' HG11 ' A' ' 24' ' ' VAL . 18.1 t80 -95.02 106.55 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.79 HG11 ' HE2' ' A' ' 52' ' ' TYR . 53.4 t -112.96 143.85 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.547 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 20.1 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.68 131.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 112' ' ' VAL . 11.0 tp -86.68 90.08 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.741 HG23 HD12 ' A' ' 121' ' ' ILE . 19.2 mt -75.42 102.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.5 m -85.24 99.98 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 58.5 t-105 -77.83 144.28 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.548 HG21 ' HG3' ' A' ' 98' ' ' ARG . 67.8 mt -150.18 100.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.53 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.74 -24.55 17.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.92 -9.74 57.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 64' ' ' ARG . 4.1 t -62.32 163.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 93' ' ' VAL . 22.8 t -84.68 135.38 34.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.53 -38.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' C ' HD23 ' A' ' 96' ' ' LEU . 1.4 tt -55.0 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' C ' HH12 ' A' ' 64' ' ' ARG . 25.5 mm-40 -48.7 -46.19 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.548 ' HG3' HG21 ' A' ' 89' ' ' ILE . 24.0 ttt180 -60.48 -27.5 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.45 -2.38 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -100.04 -48.54 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -48.97 -33.17 10.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.15 69.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.6 m -77.77 -40.74 39.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 43' ' ' ILE . 48.3 m-20 -70.06 -9.55 55.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -61.24 -27.78 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.1 m -64.4 -19.21 65.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.1 mt -88.12 -50.47 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.88 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.3 t -61.97 -34.1 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -66.14 -29.92 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -46.83 -45.46 20.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.72 -41.47 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 115' ' ' PHE . 97.7 t -93.52 97.37 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -124.12 -31.87 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 66.8 t30 -71.53 -23.71 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.81 -170.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.53 -68.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 35.2 tttt -162.78 162.1 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 pt-20 -83.21 133.95 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 132' ' ' ILE . 3.4 m-30 -108.79 100.0 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.7 100.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 15.4 mt -116.25 142.26 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.516 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 47.5 t -119.03 -16.21 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -115.72 126.61 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.5 mtm105 -52.19 -37.2 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -53.24 -15.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.5 mt-10 -103.07 -16.33 15.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.1 mm? -69.66 -12.27 61.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' PHE . 12.0 mt-10 -50.09 103.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 4.1 tm-20 -36.64 -40.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.38 -45.64 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' GLU . 36.5 t80 -63.28 -36.16 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.584 HG23 ' CE2' ' A' ' 119' ' ' PHE . 22.4 mm -61.56 -43.71 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -52.4 -59.58 4.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 t -40.81 -43.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 42' ' ' THR . 5.1 mmmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.0 tt -131.6 147.89 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.675 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.8 m-20 -80.94 46.72 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 13' ' ' ASP . 8.8 mttp -22.77 -45.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.3 mt-10 -59.69 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -65.45 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 34.6 m -67.57 -58.08 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttm180 -38.62 -41.21 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.787 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -59.86 -53.75 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -61.9 -40.7 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.584 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.5 t80 -66.3 -22.03 66.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.7 m-20 -90.31 -48.13 7.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.0 mm? -45.47 -20.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.1 p -106.3 -38.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -29.11 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 85.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.82 0.343 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -119.72 -18.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.642 ' CB ' HG22 ' A' ' 69' ' ' VAL . 49.6 p-90 -135.7 143.88 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.959 HG12 ' HG2' ' A' ' 48' ' ' GLN . 28.6 m -143.39 120.11 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 p -91.35 155.72 18.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' HG23 ' A' ' 34' ' ' VAL . 71.8 m-85 -133.84 99.86 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.12 178.65 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CE1' HG12 ' A' ' 43' ' ' ILE . 98.5 m-85 -95.39 146.44 24.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 14.6 t70 -118.52 16.02 13.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.25 -86.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.77 19.68 12.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 11' ' ' LYS . 30.7 m -158.96 149.55 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.548 HD11 ' HB3' ' A' ' 104' ' ' ASP . 9.9 mt -81.06 137.63 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.3 m -147.18 150.71 38.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.1 134.72 50.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.46 -80.13 1.5 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.14 176.12 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.959 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.9 mt-30 -155.61 161.15 40.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.18 167.09 20.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.04 -20.04 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 12.9 m-20 -81.36 102.79 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 69' ' ' VAL . 6.6 t80 -54.19 -28.94 43.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.8 mm-40 -66.39 -34.36 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 8.2 m170 -65.55 -32.53 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.05 -41.21 91.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.17 -20.94 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.561 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 1.3 mp0 -77.94 0.95 22.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -108.02 -31.21 8.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.3 m -77.76 117.26 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.691 ' OG1' HG12 ' A' ' 63' ' ' VAL . 34.4 p -132.53 169.97 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.92 18.68 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.691 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -157.63 150.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.496 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.71 131.94 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.58 11.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.594 ' CD1' HG21 ' A' ' 108' ' ' VAL . 14.2 m-85 -85.57 156.35 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.522 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.36 100.48 3.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.4 t80 -88.8 116.67 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG22 ' CB ' ' A' ' 33' ' ' TRP . 86.5 t -120.26 148.36 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 53.3 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.71 131.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.791 HD21 ' CG1' ' A' ' 108' ' ' VAL . 10.5 tp -84.72 91.79 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 38.5 mt -76.11 103.52 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 87' ' ' THR . 2.9 m -86.87 103.04 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 53.9 t-105 -83.15 143.85 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 72.4 mt -149.76 100.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.944 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.84 129.91 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -72.66 2.68 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.09 -24.05 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.17 146.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 95' ' ' GLY . 19.9 m -66.03 141.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.48 -50.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.4 tt -42.6 -66.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 8.8 mt-30 -40.22 -46.65 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.23 89.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.52 -14.25 62.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.491 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.23 -41.79 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -60.01 -37.1 78.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.84 47.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -70.48 -32.57 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.548 ' HB3' HD11 ' A' ' 43' ' ' ILE . 44.1 m-20 -84.47 9.81 12.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 m -58.19 -22.31 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.722 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.4 mp -78.13 -50.32 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.791 ' CG1' HD21 ' A' ' 85' ' ' LEU . 39.4 t -59.67 -33.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.48 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -65.38 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -48.46 -54.47 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.523 HG13 HG23 ' A' ' 112' ' ' VAL . 11.0 p -75.32 -29.76 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG22 ' CD1' ' A' ' 21' ' ' TYR . 29.1 t -103.39 99.95 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -121.96 -38.3 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.21 -26.71 66.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -54.32 -172.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.07 -65.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 51.4 tttt -160.09 162.1 34.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -88.55 124.41 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.0 m-30 -100.29 100.32 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.14 101.01 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 127' ' ' LEU . 17.6 mt -109.92 147.4 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -21.14 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -114.5 127.12 55.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -52.63 -36.7 57.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.89 -15.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.06 -19.36 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.42 -14.08 60.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' GLU . 9.4 mt-10 -50.02 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 12.7 tt0 -36.13 -36.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.81 -48.66 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 29.7 t80 -65.87 -36.16 82.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.55 -50.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.462 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.5 OUTLIER -52.94 -57.75 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -41.35 -40.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.766 0.317 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 15.3 tt -150.04 149.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -92.68 46.79 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 13' ' ' ASP . 25.5 mtmt -21.1 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 pt-20 -52.25 -59.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.47 -34.83 78.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.9 m -60.81 -62.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HA ' HG11 ' A' ' 111' ' ' VAL . 44.6 ttp180 -41.68 -40.78 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.751 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.84 -51.24 70.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.81 -44.9 91.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.4 t80 -64.44 -16.29 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 68.7 m-20 -94.35 -41.64 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.15 -14.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.2 p -110.64 -38.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -29.56 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.76 0.314 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 9.9 pt -117.45 -11.48 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.548 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.4 p-90 -144.48 141.66 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.996 HG12 ' HG2' ' A' ' 48' ' ' GLN . 29.7 m -142.29 130.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.228 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.4 p -99.63 154.3 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -128.67 94.02 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -99.02 177.33 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -97.3 141.7 30.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.625 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.8 t0 -119.67 14.64 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 135.42 65.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.79 11.95 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -140.97 130.14 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 108' ' ' VAL . 42.4 mt -67.96 140.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 39' ' ' ASP . 13.7 m -155.81 145.54 15.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.68 0.752 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 53.5 Cg_exo -51.98 108.62 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -67.59 -100.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 174.92 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.996 ' HG2' HG12 ' A' ' 34' ' ' VAL . 6.4 mt-30 -154.61 163.91 39.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.98 161.1 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . . . -87.51 -19.87 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 16.3 t0 -80.46 100.25 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE2' HG11 ' A' ' 69' ' ' VAL . 8.6 t80 -53.51 -27.74 27.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.7 mm-40 -67.26 -34.26 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 7.4 m170 -65.96 -33.73 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.625 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.41 -41.33 93.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.76 -20.21 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 2.1 mp0 -80.3 5.83 13.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -115.95 -30.61 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 37.3 m -79.09 104.88 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.474 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 31.0 p -119.39 177.62 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -78.92 4.48 14.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -120.28 20.56 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 14.9 p -156.85 154.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.553 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.74 133.93 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.781 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -172.67 165.57 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 29.2 m-85 -79.55 157.44 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -145.88 100.09 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CD1' HG11 ' A' ' 24' ' ' VAL . 13.4 t80 -90.75 118.0 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.855 HG11 ' CE2' ' A' ' 52' ' ' TYR . 21.9 t -124.05 141.62 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 38.9 ttt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 4.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.3 125.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' GLU . 13.2 tp -78.54 93.06 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.558 HG23 HD12 ' A' ' 121' ' ' ILE . 21.1 mt -73.05 100.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' PHE . 64.0 m -81.84 101.69 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 62.7 t-105 -86.16 138.58 31.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 59.9 mt -147.08 97.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.191 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.958 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.01 120.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.14 -4.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.345 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.26 -15.36 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 90' ' ' GLY . 26.2 m -54.42 153.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 6.7 t -70.13 135.49 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.01 -54.75 0.7 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -37.62 -60.74 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 5.1 mt-30 -44.55 -49.2 10.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -66.36 -33.16 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.86 63.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -34.5 10.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.445 ' O ' ' OD1' ' A' ' 104' ' ' ASP . 45.0 m -74.56 -24.9 59.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.19 -16.52 78.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 m -104.91 -31.57 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 101' ' ' THR . 1.2 p-10 -67.43 -16.06 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 15.4 ttmt -54.14 -31.63 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 21.6 m -64.45 -17.14 63.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.6 -44.97 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.76 HG23 HD13 ' A' ' 43' ' ' ILE . 65.2 t -66.94 -37.9 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 109' ' ' LYS . 2.4 ttpm? -62.76 -34.09 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.466 ' CD ' ' O ' ' A' ' 106' ' ' THR . 3.2 mm-40 -43.47 -47.28 7.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 18' ' ' ARG . 71.0 t -72.33 -49.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.223 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 1.1 p -97.24 101.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -28.24 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.88 -25.54 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.8 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.15 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 2.6 ttmt -162.38 165.1 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.2 pm0 -92.44 128.11 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 m-30 -101.56 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.07 100.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.769 HG21 HD22 ' A' ' 127' ' ' LEU . 28.6 mt -111.38 144.93 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.48 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.95 -19.2 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.01 126.06 53.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -50.85 -36.74 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -49.96 -18.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.9 mt-10 -102.5 -19.52 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -66.21 -15.8 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' ASP . 6.1 mt-10 -49.95 104.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 16.7 tt0 -36.03 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 44.1 m-20 -56.71 -48.85 76.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 126' ' ' GLU . 52.4 t80 -66.45 -36.06 81.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.01 -49.49 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.56 -53.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.7 t -45.08 -40.4 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.47 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 11.7 tt -135.22 146.24 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -81.77 45.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.6 mtpp -23.86 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.1 mt-10 -57.59 -59.59 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.3 -54.2 36.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 36.1 ttp180 -45.69 -36.66 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.41 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -63.14 -47.12 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.1 t80 -60.73 -19.72 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 68.3 m-20 -91.77 -44.54 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -49.07 -18.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.4 p -108.95 -34.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.07 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 69.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -119.96 -12.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 45.7 p-90 -142.76 140.93 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.01 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -142.64 128.99 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -98.79 154.7 17.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 72.3 m-85 -132.95 97.35 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -98.15 172.89 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.527 ' CE2' HG12 ' A' ' 43' ' ' ILE . 75.5 m-85 -94.07 141.77 28.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 44' ' ' VAL . 35.4 t0 -109.82 13.37 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.94 11.99 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.741 HG23 ' C ' ' A' ' 11' ' ' LYS . 6.0 m -152.22 142.51 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG12 ' CE2' ' A' ' 38' ' ' TYR . 18.8 mt -70.82 146.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 39' ' ' ASP . 16.8 m -154.4 143.33 14.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.04 123.05 11.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.15 -96.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD2' ' CD ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -92.92 179.79 5.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 1.01 ' HG3' HG12 ' A' ' 34' ' ' VAL . 9.5 tt0 -169.51 136.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.88 172.36 40.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.78 -25.04 16.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.87 105.68 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.77 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.2 t80 -53.97 -28.85 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.22 -20.62 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -82.24 -26.45 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -77.93 -43.94 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.23 -17.82 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -84.93 2.6 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CD ' ' OD2' ' A' ' 47' ' ' ASP . 10.9 mm-40 -108.5 -33.48 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.5 m -76.53 115.57 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.487 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.4 p -132.96 174.45 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' HA ' ' CA ' ' A' ' 90' ' ' GLY . 0.7 OUTLIER -75.43 5.11 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -121.07 19.46 11.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.82 151.74 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -144.93 124.1 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.878 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.66 171.53 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.3 m-85 -89.38 163.49 15.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -150.45 111.61 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 83' ' ' PHE . 18.5 t80 -92.44 104.41 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.77 HG11 ' HE2' ' A' ' 52' ' ' TYR . 44.2 t -108.74 142.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 17.7 ttt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 70' ' ' ARG . 28.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.88 134.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.583 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.7 tp -85.91 94.51 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.779 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -78.13 102.74 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' THR . 2.9 m -86.87 99.94 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 60.4 t-105 -82.88 144.07 30.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 86.0 mt -151.19 99.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.833 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.83 133.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.32 8.45 4.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -114.45 -27.56 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 90' ' ' GLY . 35.8 m -51.2 145.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.3 t -67.25 145.99 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.13 -50.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.1 tt -43.29 -66.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -40.82 -46.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG21 ' A' ' 89' ' ' ILE . 18.8 ttm-85 -69.85 -33.69 72.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.03 -16.53 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -36.1 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 m -59.37 -38.67 81.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.02 -35.53 64.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.0 m -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.532 ' HA ' HD13 ' A' ' 107' ' ' LEU . 42.8 m-20 -85.78 7.98 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -77.2 -32.93 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.6 m -58.37 -22.66 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.714 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.6 mp -77.37 -49.84 14.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.1 t -60.19 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -63.6 -35.88 81.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.15 -46.1 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.5 t -82.73 -34.0 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 115' ' ' PHE . 69.6 t -97.9 99.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -124.86 -36.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -65.87 -22.71 66.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -56.75 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.54 -65.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.56 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 24.7 tttp -160.88 162.63 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 1.7 pm0 -87.56 124.09 33.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.3 m-30 -99.23 106.59 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.3 101.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 86' ' ' ILE . 11.7 mt -112.5 144.24 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -19.92 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -114.46 128.83 56.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -53.29 -38.38 63.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.52 -16.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 14.3 mt-10 -101.78 -19.42 15.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -66.54 -13.47 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 129' ' ' GLU . 8.6 mt-10 -50.97 101.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 37.4 tt0 -34.06 -41.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -50.94 -49.0 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 37.3 t80 -62.54 -35.52 79.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 119' ' ' PHE . 26.2 mm -61.2 -44.54 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mmm-85 -52.15 -58.39 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.5 t -41.12 -41.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tt -143.87 143.24 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.568 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.0 m-20 -82.33 46.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.0 mtpt -22.82 -50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.1 pt-20 -52.22 -59.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.8 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.2 m -61.32 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -43.28 -38.9 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.29 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CD1' HG22 ' A' ' 112' ' ' VAL . 2.2 t80 -61.14 -21.32 63.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -86.72 -47.59 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 mm? -49.49 -18.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.52 ' CG2' HG13 ' A' ' 34' ' ' VAL . 6.7 t -107.34 -38.07 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -65.92 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.5 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.875 0.369 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.45 -18.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -137.66 143.26 41.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.92 HG12 ' HG3' ' A' ' 48' ' ' GLN . 14.4 m -144.04 129.38 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -100.95 152.57 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 91.5 m-85 -131.27 97.44 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -97.67 178.25 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.523 ' CE1' HG12 ' A' ' 43' ' ' ILE . 92.3 m-85 -99.35 145.57 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -119.8 14.24 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.8 71.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 27.22 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.5 m -159.54 121.17 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.523 HG12 ' CE1' ' A' ' 38' ' ' TYR . 39.5 mt -70.54 132.27 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG12 ' CG ' ' A' ' 13' ' ' ASP . 15.8 m -147.02 143.88 18.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.176 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 119.66 6.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.52 -100.14 0.87 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.19 170.5 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.92 ' HG3' HG12 ' A' ' 34' ' ' VAL . 15.4 tt0 -163.62 136.47 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.68 169.31 37.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.03 22.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.7 t0 -85.37 106.07 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.92 -29.33 56.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -68.19 -20.69 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -81.89 -25.88 34.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -77.41 -42.61 35.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 92.5 mt -67.39 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -86.31 3.06 44.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -109.13 -30.15 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 42.1 m -82.53 114.71 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.506 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.5 p -124.15 176.88 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 91' ' ' GLU . 2.8 t0 -80.78 12.41 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.49 19.91 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 65' ' ' LEU . 14.3 p -152.48 159.14 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -149.99 130.53 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.26 165.11 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -83.12 156.35 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.51 104.77 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 60.4 t80 -90.37 110.49 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 33' ' ' TRP . 43.2 t -115.19 147.28 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 52.0 ttt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 40.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -179.22 130.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.6 tp -87.52 91.75 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.831 HG23 HD12 ' A' ' 121' ' ' ILE . 18.5 mt -75.49 104.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 87' ' ' THR . 3.1 m -87.36 100.03 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.475 ' CE3' HD21 ' A' ' 127' ' ' LEU . 63.4 t-105 -83.29 142.8 30.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.569 HG21 ' HG3' ' A' ' 98' ' ' ARG . 58.8 mt -151.35 99.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.818 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -37.03 129.9 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 13.7 mt-10 -72.49 5.71 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 2.3 t70 -115.75 -23.1 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 90' ' ' GLY . 25.8 m -50.32 149.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 p -56.87 136.05 55.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -38.64 -56.17 2.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -42.8 -56.28 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -44.5 -48.65 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG3' HG21 ' A' ' 89' ' ' ILE . 10.0 ttt180 -65.2 -35.37 80.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.76 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.644 ' HG2' HD13 ' A' ' 96' ' ' LEU . 10.0 mmmm -98.34 -51.89 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.503 HG21 HG12 ' A' ' 89' ' ' ILE . 87.3 m -40.78 -41.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.192 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.74 86.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 m -69.79 -36.41 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.114 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.5 m-20 -67.59 -4.88 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.74 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.2 m -52.31 -25.13 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.599 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -82.28 -52.03 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.728 ' CG1' HD21 ' A' ' 85' ' ' LEU . 86.9 t -59.05 -32.53 48.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -66.05 -35.58 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.89 -38.81 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.12 -42.65 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 21' ' ' TYR . 84.0 t -94.74 98.51 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -123.74 -30.84 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' PHE . 22.9 t30 -69.57 -26.11 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.86 -171.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.71 -67.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 17.8 tttt -161.26 161.05 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.791 ' OE1' HG23 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -84.81 127.44 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.438 ' CD2' HG23 ' A' ' 132' ' ' ILE . 5.5 m-30 -101.12 102.61 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.791 HG23 ' OE1' ' A' ' 118' ' ' GLU . 96.2 t -80.36 101.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.831 HD12 HG23 ' A' ' 86' ' ' ILE . 8.4 mt -114.78 140.97 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -17.09 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -116.68 127.52 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 124' ' ' ARG . 36.1 mtm105 -52.16 -37.23 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -51.71 -17.19 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.496 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -101.55 -18.66 15.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -65.86 -16.31 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 125' ' ' LYS . 4.8 mt-10 -50.06 104.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 3.1 pt-20 -38.64 -36.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.495 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 6.6 m-20 -53.46 -46.05 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -67.47 -37.85 83.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.5 mm -55.96 -48.4 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -60.38 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.9 t -38.96 -40.12 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.72 0.295 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.8 tt -126.95 150.68 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.2 m-20 -87.51 45.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttm -22.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.6 pt-20 -52.46 -57.6 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.34 -33.31 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 28.0 m -62.61 -62.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' HG11 ' A' ' 111' ' ' VAL . 29.4 ttm180 -40.9 -42.67 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.45 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.972 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.47 -46.92 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.901 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -60.59 -20.98 62.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -85.64 -43.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -52.93 -15.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.684 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.4 p -110.75 -24.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ptt180 -82.17 -28.56 32.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 48' ' ' GLN . 59.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.35 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -119.19 -19.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.666 ' HB2' HG22 ' A' ' 69' ' ' VAL . 40.5 p-90 -137.89 154.25 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 ' HB1' ' A' ' 20' ' ' ALA . 9.3 p -152.53 137.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLY . 7.3 p -107.75 148.46 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 66.0 m-85 -127.99 96.88 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -98.51 174.49 6.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CE1' HG12 ' A' ' 43' ' ' ILE . 76.2 m-85 -94.47 146.85 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -119.76 16.85 12.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.65 72.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.98 24.74 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 m -158.12 124.06 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 104' ' ' ASP . 21.8 mt -71.78 137.71 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 13' ' ' ASP . 23.0 m -152.62 143.86 16.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 111.19 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.06 109.63 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -75.2 -99.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 2.4 m-20 -91.22 174.2 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.699 0.285 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HG2' HG11 ' A' ' 31' ' ' VAL . 20.2 tt0 -168.61 136.68 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.29 171.86 44.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.72 -14.57 21.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 3.0 m-20 -87.55 108.94 19.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 4.3 t80 -56.53 -27.99 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -72.12 -21.62 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -79.59 -27.14 41.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.16 -45.08 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 87.2 mt -64.07 -20.58 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -81.05 0.7 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 20.3 mm-40 -103.87 -46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 88' ' ' TRP . 3.4 p -66.4 112.93 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.649 ' OG1' HG12 ' A' ' 63' ' ' VAL . 61.7 p -123.12 176.25 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 1.2 p-10 -79.62 2.51 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.11 18.56 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG12 ' OG1' ' A' ' 60' ' ' THR . 10.2 p -154.09 159.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.597 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -150.79 131.21 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.73 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.04 170.06 12.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -83.76 151.57 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.96 101.18 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.6 t80 -91.99 118.86 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 ' HB2' ' A' ' 33' ' ' TRP . 23.3 t -125.07 148.63 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 17.2 ttt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 5.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.98 127.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -81.63 91.0 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.24 100.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' PHE . 3.4 m -82.24 101.58 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 t-105 -82.41 140.8 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 90' ' ' GLY . 71.4 mt -146.63 99.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.46 134.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.82 3.64 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 24.9 t70 -118.94 -11.31 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 97' ' ' GLN . 43.6 t -58.94 144.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 95' ' ' GLY . 17.5 m -66.04 132.73 49.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.63 -36.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.2 tm? -52.12 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 24.8 mm-40 -59.51 -34.31 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 7.2 tmm_? -73.54 -26.11 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -88.62 -13.45 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -39.49 9.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -47.42 -36.97 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.69 -31.92 55.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.7 m -73.4 -29.86 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.63 ' HB3' HD11 ' A' ' 43' ' ' ILE . 97.0 m-20 -85.53 3.73 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' ' OE1' ' A' ' 118' ' ' GLU . 6.6 ttpp -71.45 -32.54 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 15.3 m -60.33 -21.02 61.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.758 ' N ' HD12 ' A' ' 107' ' ' LEU . 1.6 mp -82.95 -49.42 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.8 t -63.06 -32.96 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -36.66 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' THR . 1.8 mm-40 -45.64 -36.69 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 18' ' ' ARG . 79.3 t -88.77 -41.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.901 HG22 ' CD1' ' A' ' 21' ' ' TYR . 46.0 t -96.68 99.96 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -122.13 -30.88 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' PHE . 0.5 OUTLIER -67.75 -28.06 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.21 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.17 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 8.1 tttp -161.79 162.59 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 6.5 pt-20 -86.79 134.05 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.1 m-85 -106.4 100.29 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.84 100.07 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.754 HG21 HD22 ' A' ' 127' ' ' LEU . 38.9 mt -111.6 143.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -17.26 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.72 126.75 53.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -51.76 -37.25 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 1.9 mppt? -53.42 -15.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 3.2 mm-40 -101.8 -18.65 15.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -67.97 -12.33 60.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' GLU . 6.9 mt-10 -52.42 105.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 7.6 pt-20 -37.29 -37.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.03 -47.0 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE2' ' OE2' ' A' ' 126' ' ' GLU . 33.4 t80 -65.83 -34.71 78.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.19 -49.64 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -58.23 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -40.15 -39.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p 49.85 32.52 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -113.35 104.32 12.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.49 143.15 8.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.05 160.53 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.46 122.62 38.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.33 151.51 26.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mmt -82.56 13.66 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.02 150.99 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 m -160.56 147.03 15.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -137.58 179.92 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.89 139.11 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.3 m-20 -81.16 46.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASP . 5.8 mtpm? -23.07 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -53.06 -59.72 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.2 -36.13 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 m -60.49 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 16.1 ttm180 -40.01 -43.83 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -55.53 -52.95 61.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.054 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.639 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.4 t80 -60.24 -19.37 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 53.8 m-20 -91.25 -46.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.6 mm? -46.41 -20.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.3 p -108.72 -36.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.533 HH12 ' ND2' ' A' ' 114' ' ' ASN . 0.4 OUTLIER -66.03 -28.5 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.52 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -63.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -149.97 75.09 0.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -87.73 21.22 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.31 24.94 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.61 135.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 pt -119.31 -21.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.483 ' HB2' HG22 ' A' ' 69' ' ' VAL . 37.2 p-90 -134.58 158.32 44.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.054 HG21 ' HB1' ' A' ' 20' ' ' ALA . 12.3 p -159.38 136.75 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 p -108.69 149.41 29.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' HG13 ' A' ' 34' ' ' VAL . 36.9 m-85 -127.27 98.31 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -99.89 171.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' HG12 ' A' ' 43' ' ' ILE . 87.0 m-85 -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB2' HG21 ' A' ' 44' ' ' VAL . 7.1 t0 -119.78 11.91 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 128.65 69.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.88 26.1 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -158.03 115.69 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 38' ' ' TYR . 40.4 mt -64.68 127.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.9 m -140.29 144.78 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 111.55 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.779 2.319 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.61 -103.15 0.25 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -86.51 170.27 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -167.75 139.12 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.9 174.7 42.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.04 -18.88 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -85.81 105.3 16.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.72 ' HE2' HG11 ' A' ' 69' ' ' VAL . 8.3 t80 -54.54 -28.36 45.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.41 -21.39 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -80.51 -27.43 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.62 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -75.2 -46.78 31.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.69 -23.19 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -78.35 1.86 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -109.26 -31.89 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 40.1 m -80.9 117.38 21.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.447 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 34.7 p -138.27 176.16 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.6 m-20 -75.2 4.72 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -120.48 20.1 11.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 65' ' ' LEU . 12.7 p -160.09 156.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.94 135.18 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.741 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -174.51 169.46 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CD1' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -86.77 156.31 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -140.44 103.05 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' HG11 ' A' ' 24' ' ' VAL . 10.2 t80 -86.42 109.24 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.72 HG11 ' HE2' ' A' ' 52' ' ' TYR . 41.2 t -117.33 143.12 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 18.0 ttt180 -92.85 136.89 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 28.7 m-85 -134.33 113.18 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.61 101.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.1 p -118.18 20.08 13.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 79' ' ' LYS . . . -105.76 84.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -119.17 -9.41 9.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.46 -75.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 mmm -100.76 -74.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -94.44 171.45 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 15.1 mtpp -110.32 19.86 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -67.22 167.81 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 1.8 t -112.19 164.83 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 40.1 mttt -117.09 -24.36 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 81' ' ' SER . 2.8 m-85 53.55 -171.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -177.22 128.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 85' ' ' LEU . 11.9 tp -80.2 92.95 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 121' ' ' ILE . 30.2 mt -75.12 100.03 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.0 m -84.23 101.49 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.6 t-105 -88.05 142.86 27.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 79.7 mt -149.14 99.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.873 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.98 134.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -77.44 8.36 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.67 -25.82 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.873 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.3 m -50.01 157.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' GLY . 25.5 t -67.09 140.87 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.77 -50.32 1.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 99' ' ' ALA . 13.4 tp -44.44 -66.82 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' LEU . 21.0 mt-30 -37.94 -41.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -73.65 -37.02 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -76.47 -21.19 56.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.8 mmmt -95.63 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 27.8 m -36.81 -37.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.8 -38.5 66.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 100' ' ' LYS . 54.8 m -68.76 -41.07 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.57 -4.82 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' CE ' ' HG3' ' A' ' 118' ' ' GLU . 19.3 ttmt -59.18 -35.28 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.6 m -56.26 -24.96 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.0 mt -78.46 -51.47 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 66' ' ' PHE . 38.8 t -62.18 -31.97 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -65.43 -34.4 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -45.32 -37.9 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.6 t -90.9 -39.66 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 21' ' ' TYR . 54.5 t -95.24 99.73 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.19 -32.04 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.533 ' ND2' HH12 ' A' ' 25' ' ' ARG . 4.0 t30 -68.14 -27.16 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.4 -170.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -97.7 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 44.6 tttt -161.08 164.65 30.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.2 pm0 -90.71 125.62 35.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.456 ' CD2' HG23 ' A' ' 132' ' ' ILE . 9.2 m-30 -100.33 104.9 16.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.89 100.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 86' ' ' ILE . 10.3 mt -110.73 145.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -19.72 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -116.15 126.85 54.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -51.48 -36.23 43.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -52.23 -15.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.59 -18.18 14.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -67.92 -13.6 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 130' ' ' ASP . 5.1 mt-10 -50.01 105.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tt0 -38.65 -30.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 128' ' ' GLU . 74.7 m-20 -59.66 -46.17 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 128' ' ' GLU . 30.8 t80 -67.48 -36.8 81.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.456 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.7 mm -59.96 -50.71 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.449 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -49.11 -57.44 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.0 m -41.58 -42.29 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -60.7 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 71' ' ' PHE . 79.5 mt -66.52 -33.98 76.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -52.01 -30.43 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -108.65 -32.67 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.918 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 138' ' ' LYS . . . 33.36 45.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.073 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.433 ' H ' ' CD ' ' A' ' 138' ' ' LYS . . . -131.43 142.88 14.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.99 130.09 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.52 157.21 44.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.592 ' O ' ' CD2' ' A' ' 144' ' ' TYR . 13.1 m-20 -72.86 -63.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 143' ' ' ASN . 45.6 p90 47.24 21.96 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -106.23 129.64 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -167.86 171.74 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -134.33 139.95 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.1 m -89.56 19.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 p -41.74 -60.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -38.6 -44.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.38 -115.88 8.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.7 38.69 30.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.78 171.93 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' THR . 15.3 t -61.19 126.16 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.5 mmm -152.64 133.61 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.45 176.75 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 m -112.01 143.77 42.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.63 173.33 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 108' ' ' VAL . 10.7 tt -140.04 153.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.574 ' O ' ' C ' ' A' ' 14' ' ' LYS . 6.6 t0 -89.03 44.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 13' ' ' ASP . 23.5 mtpt -22.41 -49.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -54.98 -58.15 8.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.52 -37.06 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HB2' HG21 ' A' ' 111' ' ' VAL . 56.6 m -59.56 -61.19 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 38.8 ttp180 -42.74 -43.03 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.62 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.059 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.3 -46.87 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.555 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.2 t80 -62.54 -30.3 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 24' ' ' VAL . 65.6 m-20 -75.86 -53.73 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 19' ' ' ALA . 2.8 mm? -44.06 -21.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 22' ' ' ASN . 19.4 t -104.16 -31.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 5.1 ptt180 -72.76 -29.69 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ASP . 4.4 t0 -51.28 141.84 14.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASP . 22.2 m-20 -33.07 -57.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.68 81.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -94.83 -171.51 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.833 -179.704 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.61 20.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.636 HG11 ' HG2' ' A' ' 48' ' ' GLN . 2.8 t -144.86 138.79 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 pt -120.04 -13.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.551 ' HB2' HG22 ' A' ' 69' ' ' VAL . 44.6 p-90 -146.96 159.7 43.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.059 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.1 p -155.61 149.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 47' ' ' ASP . 11.3 p -122.59 145.74 48.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -123.62 97.8 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -98.91 -178.39 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -102.3 145.25 29.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB2' HG21 ' A' ' 44' ' ' VAL . 1.9 t70 -119.95 13.63 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.23 74.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.576 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.31 25.36 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.361 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -158.76 129.64 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG22 ' A' ' 108' ' ' VAL . 34.6 mt -77.91 129.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 13' ' ' ASP . 34.8 m -142.9 144.45 29.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.8 Cg_exo -52.12 102.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.22 -99.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . 2.2 m-20 -95.14 168.4 10.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.9 tt0 -169.12 149.07 4.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.93 177.58 42.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.7 10.18 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 2.0 m-20 -114.75 104.13 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.877 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.9 t80 -52.64 -29.98 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -68.88 -24.25 64.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -77.95 -29.04 49.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.8 -45.08 45.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.1 -17.84 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.24 2.44 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -108.63 -29.07 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.8 m -79.62 117.82 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.631 ' OG1' HG12 ' A' ' 63' ' ' VAL . 33.1 p -131.24 173.55 10.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.88 7.0 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -124.74 18.04 8.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' OG1' ' A' ' 60' ' ' THR . 12.7 p -153.91 159.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.6 135.22 16.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.79 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.64 161.81 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 108' ' ' VAL . 18.2 m-85 -76.78 152.79 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' VAL . . . -140.63 104.47 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 89.5 t80 -93.38 111.65 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' CE2' ' A' ' 52' ' ' TYR . 22.9 t -117.71 149.36 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.406 HH21 ' CG2' ' A' ' 72' ' ' THR . 17.3 ttt180 -100.14 125.39 46.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 17.4 m-85 -116.77 103.55 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.406 ' CG2' HH21 ' A' ' 70' ' ' ARG . 0.6 OUTLIER -58.56 133.18 55.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.4 p -144.92 104.64 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.96 57.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.529 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 30.6 t70 -85.03 19.95 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 75' ' ' ASP . . . 70.02 26.64 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 78' ' ' SER . 11.6 ptm -119.91 -37.88 3.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 77' ' ' MET . 75.2 m -114.13 -39.87 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.761 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 67.45 13.64 9.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 81' ' ' SER . 12.0 ttt85 -140.19 148.55 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.476 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 2.4 p -65.35 151.24 46.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.656 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 42.7 mmtt -107.79 170.1 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 3.0 m-85 -155.19 158.57 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -157.66 128.88 6.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 11.9 tp -80.5 93.51 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 121' ' ' ILE . 20.3 mt -73.84 99.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 119' ' ' PHE . 10.2 m -79.78 102.19 8.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.694 ' CE3' HD21 ' A' ' 127' ' ' LEU . 59.3 t-105 -84.2 141.62 30.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.922 HG21 ' HG3' ' A' ' 98' ' ' ARG . 60.2 mt -147.85 100.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -35.01 134.09 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -74.51 0.02 16.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -112.02 -13.96 13.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' GLY . 4.8 t -54.7 160.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 95' ' ' GLY . 20.0 m -81.19 133.19 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.36 -43.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -55.79 -60.62 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' HB2' HG12 ' A' ' 93' ' ' VAL . 6.4 mt-30 -55.68 -38.98 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.922 ' HG3' HG21 ' A' ' 89' ' ' ILE . 34.8 ttt-85 -71.97 -27.43 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.44 -9.15 59.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 103' ' ' THR . 18.6 mmmt -95.48 -57.93 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 m -34.87 -39.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -70.27 -40.86 69.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 100' ' ' LYS . 97.1 m -68.29 -34.34 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.6 m-20 -72.98 -5.98 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.457 ' CD ' ' HG3' ' A' ' 118' ' ' GLU . 20.0 ttpt -61.61 -35.56 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.3 m -55.55 -22.16 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -88.02 -52.86 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 66' ' ' PHE . 61.0 t -57.75 -36.66 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -64.25 -31.57 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.54 -44.51 12.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 17' ' ' CYS . 77.9 t -78.75 -51.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.555 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 p -94.9 97.83 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.87 -28.11 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' PHE . 1.3 p-10 -64.72 -26.4 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.18 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -95.67 -68.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.8 tttt -160.81 164.73 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -92.05 131.25 37.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.6 m-30 -102.77 110.43 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.21 99.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.991 HG21 HD22 ' A' ' 127' ' ' LEU . 1.4 mm -105.59 143.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.0 t -120.06 -16.36 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -127.08 131.83 50.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.808 ' HA ' HD23 ' A' ' 127' ' ' LEU . 40.1 mtm180 -52.17 -35.18 48.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -51.52 -19.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.8 mt-10 -100.81 -17.45 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 121' ' ' ILE . 4.6 mm? -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -49.94 106.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -39.66 -33.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.25 -45.99 76.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.25 -35.31 75.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 33.6 mm -57.3 -54.26 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.48 -55.25 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -42.81 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -61.46 -52.5 64.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' A' ' 84' ' ' ALA . 51.2 mt -59.52 -43.13 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -52.33 -38.29 58.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -112.52 20.02 17.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -38.04 -42.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.88 -146.84 4.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 133.21 167.14 11.6 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.27 162.44 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -153.64 136.53 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.46 ' HB2' ' NE2' ' A' ' 147' ' ' GLN . 3.1 m-85 -115.37 143.59 45.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 146' ' ' ALA . 10.4 p-10 -69.38 -43.35 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 145' ' ' ASP . . . -36.61 -64.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.066 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.464 ' NE2' ' H ' ' A' ' 147' ' ' GLN . 2.6 pm0 -127.68 163.65 23.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.0 m -95.14 146.71 24.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 50.5 41.63 25.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.346 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -139.03 156.54 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.03 168.0 30.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.59 131.22 13.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 9' ' ' ALA . . . -115.46 103.2 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -89.43 106.97 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 mtp 60.98 43.83 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 6' ' ' ALA . . . -164.94 149.77 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.629 HG21 ' CG ' ' A' ' 104' ' ' ASP . 11.4 m -161.0 145.06 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' C ' HG23 ' A' ' 42' ' ' THR . 15.4 mtpp -136.15 179.98 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 108' ' ' VAL . 7.7 tt -140.48 153.43 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -89.59 44.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.2 mtpp -24.61 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.7 mt-10 -56.42 -59.33 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.09 -32.23 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -64.33 -56.02 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HA ' HG21 ' A' ' 111' ' ' VAL . 28.0 ttm180 -42.29 -41.26 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.791 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.78 -50.15 74.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.037 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -66.29 -40.0 89.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 114' ' ' ASN . 0.6 OUTLIER -68.55 -16.83 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 76.5 m-20 -94.04 -43.15 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.0 mm? -49.35 -18.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.0 p -105.62 -38.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -30.07 70.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.36 158.83 25.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -104.67 18.9 21.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.36 6.56 5.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.9 m -112.35 108.32 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -39.2 -26.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 61.7 t -56.72 130.05 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -120.0 -17.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.656 ' HB2' HG22 ' A' ' 69' ' ' VAL . 52.3 p-90 -139.1 164.8 28.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.037 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.5 p -160.86 146.41 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -117.34 154.58 31.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 43.8 m-85 -130.87 97.5 4.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.09 172.13 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CE2' HG12 ' A' ' 43' ' ' ILE . 51.7 m-85 -95.8 144.08 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 7.3 t70 -109.9 10.68 24.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.66 -82.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.99 8.62 11.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.52 HG23 ' C ' ' A' ' 11' ' ' LYS . 10.8 m -148.76 145.55 27.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 38' ' ' TYR . 14.6 mt -74.74 149.65 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.463 HG12 ' CG ' ' A' ' 13' ' ' ASP . 18.1 m -157.85 146.4 14.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.07 120.06 6.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.89 -96.49 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -94.66 165.75 12.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -166.3 140.61 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.98 46.09 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.575 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -95.08 -25.78 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.8 107.99 11.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.4 t80 -55.48 -27.15 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -71.23 -20.32 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -80.15 -26.32 39.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.653 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.89 -39.5 42.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 87.6 mt -70.95 -16.53 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -86.18 4.88 36.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -110.56 -31.29 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 52.4 m -79.77 116.56 20.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.481 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.8 p -132.83 175.73 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -77.14 3.17 13.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.75 20.03 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.52 153.72 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -146.54 128.95 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.775 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.69 162.41 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CD1' HG21 ' A' ' 108' ' ' VAL . 16.6 m-85 -79.39 155.36 28.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -141.72 105.95 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 15.4 t80 -92.45 111.66 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 33' ' ' TRP . 66.8 t -115.85 148.23 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 32.9 ttt180 -87.06 128.98 35.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 74.8 m-85 -132.41 100.13 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 134.41 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 82' ' ' LYS . 2.1 t -170.64 105.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' HA3' ' CB ' ' A' ' 78' ' ' SER . . . 154.71 133.1 1.7 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.545 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -97.17 -72.25 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.3 -31.92 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 78' ' ' SER . 10.5 ptp -76.59 -34.15 58.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.483 ' N ' ' HG3' ' A' ' 77' ' ' MET . 1.5 m -112.05 -59.08 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.8 tttm 42.92 22.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -145.24 140.89 28.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.453 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 57.5 m -52.17 147.68 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.864 ' HG2' ' HB2' ' A' ' 116' ' ' ALA . 6.2 tttt -104.22 -31.92 9.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 25.3 m-85 65.48 -174.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.29 130.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.3 tp -87.96 88.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' HD12 ' A' ' 121' ' ' ILE . 18.0 mt -74.9 104.37 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.07 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 119' ' ' PHE . 25.7 m -84.5 102.94 13.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.5 t-105 -85.22 142.93 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.763 HG21 ' HG3' ' A' ' 98' ' ' ARG . 76.5 mt -149.82 99.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.826 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.33 134.45 0.37 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.25 6.53 5.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.86 -29.18 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.0 m -49.95 151.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 12.4 t -68.72 141.97 55.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -36.58 -59.74 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -33.91 -61.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.46 -45.7 13.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.763 ' HG3' HG21 ' A' ' 89' ' ' ILE . 23.3 ttt180 -70.28 -32.39 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.13 -16.37 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.36 -46.71 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -51.37 -40.61 59.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.46 -36.47 54.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.5 m -71.14 -35.21 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 111.142 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.629 ' CG ' HG21 ' A' ' 10' ' ' THR . 66.5 m-20 -75.73 -1.06 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.97 -36.9 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.1 m -53.93 -25.36 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.2 mt -80.53 -46.58 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.1 t -67.59 -24.61 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.44 -28.26 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.24 -50.08 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 18' ' ' ARG . 6.9 p -74.83 -42.19 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.547 HG12 HG13 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -106.84 99.57 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.05 -20.95 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.468 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -76.54 -19.79 57.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.68 -167.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.864 ' HB2' ' HG2' ' A' ' 82' ' ' LYS . . . -88.84 -69.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.538 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 9.6 tttp -165.62 165.31 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.4 pp20? -85.61 123.22 30.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.8 m-30 -100.45 100.23 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.59 101.26 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.795 HG21 HD22 ' A' ' 127' ' ' LEU . 26.5 mt -113.54 142.17 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 t -117.61 -19.53 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.98 125.59 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -51.55 -36.71 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -53.54 -14.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.7 mt-10 -103.6 -17.08 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.795 HD22 HG21 ' A' ' 121' ' ' ILE . 3.0 mm? -68.27 -13.23 62.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -50.31 105.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 pt-20 -39.63 -34.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 1.6 m-20 -56.29 -45.79 80.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -66.61 -38.33 86.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.425 HG23 ' CD2' ' A' ' 119' ' ' PHE . 24.0 mm -58.9 -47.33 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -50.93 -59.51 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t -39.66 -38.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.46 -61.02 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 79.6 mt -52.86 -40.22 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -49.71 -41.1 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -116.26 18.52 15.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -33.84 -50.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . -45.41 154.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 140' ' ' GLY . . . -34.33 139.75 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.83 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -84.79 129.51 34.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -55.17 141.75 33.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.03 -57.76 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.96 127.08 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -144.11 137.87 27.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.2 m -128.97 161.05 30.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 50.22 42.16 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -97.23 -53.17 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.0 115.86 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.94 101.54 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.29 -57.07 6.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 m -61.95 117.28 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttp -74.51 104.0 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.05 155.45 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.561 HG21 ' CG ' ' A' ' 104' ' ' ASP . 10.4 m -159.46 147.8 17.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -140.06 179.98 6.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.7 tt -135.46 147.68 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.86 46.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 13' ' ' ASP . 29.4 mttm -22.22 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.1 pt-20 -53.13 -58.08 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.2 -35.4 77.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 111' ' ' VAL . 37.3 m -61.05 -62.19 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 111' ' ' VAL . 21.6 ttp180 -39.42 -46.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.15 -48.87 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.077 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -65.85 -44.38 85.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.883 ' CD1' HG12 ' A' ' 112' ' ' VAL . 1.9 t80 -63.31 -20.82 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 35.4 m-20 -85.23 -50.84 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.3 mm? -47.63 -19.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' ILE . 4.5 p -106.01 -33.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HD2' ' CZ ' ' A' ' 21' ' ' TYR . 1.4 ttt180 -72.35 -28.54 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' SER . 1.8 t70 -50.86 142.49 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.09 -56.76 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.7 80.7 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.4 OUTLIER -98.81 -172.85 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 110.804 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.62 19.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 48' ' ' GLN . 60.6 t -150.47 139.99 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.5 pt -119.31 -21.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . 47.5 p-90 -135.64 162.19 33.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.077 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.5 p -158.94 150.67 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 p -123.67 148.4 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.674 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 50.2 m-85 -128.33 99.73 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.42 176.96 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE1' HG12 ' A' ' 43' ' ' ILE . 77.6 m-85 -98.77 141.8 31.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.57 14.75 12.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.19 72.46 0.21 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 64.35 27.12 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -157.48 110.4 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 38' ' ' TYR . 16.9 mt -62.57 133.86 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.1 m -147.69 142.02 16.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.6 Cg_exo -52.01 106.02 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.298 . . . . 0.0 112.318 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.49 -99.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.87 172.75 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 15.8 tt0 -171.05 155.55 4.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 166.62 174.6 36.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.22 -8.65 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -94.84 106.24 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 3.7 t80 -54.59 -28.67 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.38 -21.52 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -79.88 -27.17 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.81 -42.64 39.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 56' ' ' ILE . 89.6 mt -67.78 -16.95 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -85.56 3.52 40.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -108.12 -33.31 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 58.3 m -76.81 116.4 17.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.476 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.2 p -134.12 174.42 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -75.23 3.19 9.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -120.26 20.02 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.595 HG22 HD12 ' A' ' 65' ' ' LEU . 10.7 p -159.09 151.27 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -144.95 130.47 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.756 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.28 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.9 m-85 -86.75 155.11 20.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -139.81 108.96 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.612 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.0 t80 -98.64 111.91 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 33' ' ' TRP . 12.4 t -121.71 153.88 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.43 115.82 29.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.504 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 43.7 m-85 -109.78 -174.78 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.45 101.38 2.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.95 -38.56 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' CA ' ' HA ' ' A' ' 79' ' ' LYS . . . 62.57 111.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.545 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.92 -28.57 5.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 31.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.9 mmt 67.54 30.27 6.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.5 p -169.15 100.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HA ' ' CA ' ' A' ' 74' ' ' GLY . 35.9 pttt -80.68 99.92 8.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -101.88 -72.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.96 117.78 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' NZ ' ' HB2' ' A' ' 116' ' ' ALA . 1.1 mmmp? -108.75 177.21 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 4.8 m-85 -155.53 169.81 23.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.555 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -167.79 133.44 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.1 tp -81.43 91.28 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 22.3 mt -72.59 99.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 119' ' ' PHE . 18.4 m -82.34 99.84 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.4 t-105 -84.5 141.81 30.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 80.8 mt -148.77 100.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.856 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.11 133.34 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -75.63 6.56 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.954 0.406 . . . . 0.0 110.938 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -119.03 -23.31 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.1 m -50.46 149.54 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.5 t -70.83 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.61 -52.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.514 HD23 ' HG2' ' A' ' 100' ' ' LYS . 3.6 tt -39.15 -65.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.959 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.91 -45.82 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -68.77 -34.18 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.78 -18.65 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.514 ' HG2' HD23 ' A' ' 96' ' ' LEU . 6.0 mmpt? -95.93 -38.5 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -59.24 -37.18 76.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.84 -40.62 44.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.9 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.561 ' CG ' HG21 ' A' ' 10' ' ' THR . 11.6 m-20 -87.22 10.18 17.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -81.41 -32.45 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.458 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 9.0 m -59.49 -15.82 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.7 mp -84.1 -45.32 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -62.64 -39.34 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HE3' ' OE1' ' A' ' 110' ' ' GLU . 21.5 ttpt -61.24 -37.71 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 106' ' ' THR . 2.1 mm-40 -46.36 -48.64 18.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' CYS . 97.3 t -70.52 -51.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.883 HG12 ' CD1' ' A' ' 21' ' ' TYR . 2.2 m -95.9 111.59 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -125.87 -25.92 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 115' ' ' PHE . 5.4 t-20 -64.07 -28.79 70.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.1 -170.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.534 ' HB2' ' NZ ' ' A' ' 82' ' ' LYS . . . -99.22 -68.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 118' ' ' GLU . 26.1 tttt -158.44 165.26 35.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pp20? -86.81 128.38 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.485 ' CD2' HG23 ' A' ' 132' ' ' ILE . 8.0 m-30 -102.39 103.49 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.517 HG23 ' OE1' ' A' ' 118' ' ' GLU . 95.0 t -81.87 101.95 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.805 HG21 HD22 ' A' ' 127' ' ' LEU . 20.6 mt -112.86 142.81 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.25 -17.41 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -117.14 127.24 53.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -52.3 -37.82 56.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.37 -15.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.2 mt-10 -102.11 -19.34 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.97 -15.37 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.3 105.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.9 pt-20 -39.15 -34.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.42 -45.04 80.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.53 -38.97 84.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 31.1 mm -51.4 -49.66 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.95 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.4 t -40.07 -40.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 13.3 mm-40 -64.4 -62.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.67 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 74.0 mt -45.6 -47.57 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -47.72 -41.77 23.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -113.48 19.34 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.67 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -52.43 173.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.13 116.72 9.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -115.32 -105.28 2.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -161.7 176.23 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 144' ' ' TYR . 7.0 m120 -49.97 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.546 ' CD1' ' HB2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -114.95 119.19 35.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -115.88 19.52 15.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -51.55 -57.19 9.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -164.77 140.53 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.0 m -74.26 122.71 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t 53.47 42.18 32.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -97.74 -44.18 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.07 112.42 1.69 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.63 176.51 4.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.56 120.71 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.8 m -110.64 149.54 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.1 mtm -53.24 128.97 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.22 -170.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.779 HG21 ' OD2' ' A' ' 104' ' ' ASP . 29.5 m -112.03 145.64 39.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -121.88 163.62 18.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.2 tt -127.41 148.83 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -85.26 46.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 13' ' ' ASP . 43.5 mttt -25.52 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.6 mt-10 -57.9 -60.43 3.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.16 -33.26 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.02 -54.67 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HA ' HG11 ' A' ' 111' ' ' VAL . 49.2 ttp180 -47.58 -35.38 9.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.64 -48.92 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -65.51 -45.11 84.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.674 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.1 t80 -62.1 -23.56 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 66.5 m-20 -86.53 -45.38 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 29' ' ' SER . 2.7 mm? -50.12 -17.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.591 ' CG2' HG13 ' A' ' 34' ' ' VAL . 16.3 t -107.52 -30.13 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 14.4 ptt85 -75.5 -30.75 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 18.7 t70 -54.58 167.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -53.7 -52.64 59.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.26 69.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.533 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 23' ' ' LEU . 11.6 m -82.23 20.57 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 110.818 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.0 26.91 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 48' ' ' GLN . 2.0 t -145.51 131.82 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG22 HH21 ' A' ' 70' ' ' ARG . 7.3 pt -120.14 -13.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.778 ' CB ' HG22 ' A' ' 69' ' ' VAL . 51.4 p-90 -142.49 141.73 32.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 48' ' ' GLN . 5.8 m -142.62 121.54 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 p -94.29 152.74 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 74.8 m-85 -132.35 98.78 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -100.86 174.71 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.425 ' CE1' HG12 ' A' ' 43' ' ' ILE . 72.3 m-85 -93.3 145.92 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.8 16.94 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.67 70.69 0.3 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.69 27.22 4.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.5 m -161.5 117.47 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.543 HD12 ' HB ' ' A' ' 12' ' ' ILE . 22.7 mt -64.68 139.55 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' A' ' 13' ' ' ASP . 12.1 m -156.24 141.67 12.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.678 0.752 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.8 Cg_exo -52.0 124.07 13.89 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.748 2.299 . . . . 0.0 112.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.6 -99.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -81.72 163.09 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.811 ' HG3' HG12 ' A' ' 34' ' ' VAL . 18.2 tt0 -160.27 139.92 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.05 169.51 34.88 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.34 13.39 33.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.745 0.307 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 4.4 t0 -112.53 103.13 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CE2' HG11 ' A' ' 69' ' ' VAL . 2.5 t80 -52.3 -29.57 24.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -69.56 -25.27 63.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.04 -30.12 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.524 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -75.08 -44.02 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 88.1 mt -65.4 -17.47 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.19 0.95 46.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -108.25 -33.61 7.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.5 m -76.07 116.08 16.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.452 ' OG1' HG12 ' A' ' 63' ' ' VAL . 80.0 p -134.89 175.73 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 5.0 m-20 -76.31 5.98 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 62' ' ' ASP . 24.5 t70 -120.86 19.64 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 65' ' ' LEU . 8.2 p -161.46 152.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.531 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.48 133.45 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.72 173.35 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.629 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.3 m-85 -89.91 162.43 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -149.3 106.66 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 70.0 t80 -92.02 106.77 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.778 HG22 ' CB ' ' A' ' 33' ' ' TRP . 91.1 t -114.34 145.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 6.8 ttp180 -94.3 131.75 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' CD1' HD11 ' A' ' 136' ' ' LEU . 44.8 m-85 -127.73 106.4 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.32 118.59 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.141 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.9 p -103.76 109.51 21.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -102.6 -29.89 5.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -50.95 -17.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.822 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' C ' ' SD ' ' A' ' 77' ' ' MET . . . -81.35 13.1 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 68.31 4.13 4.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.9 p -144.97 137.8 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -78.77 113.38 16.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -154.3 177.86 10.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 2.1 m -131.03 122.21 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.777 ' HG3' ' HB2' ' A' ' 116' ' ' ALA . 4.3 tppt? -98.77 -21.72 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 1.7 m-85 56.06 -171.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.821 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -176.74 127.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD21 HG12 ' A' ' 108' ' ' VAL . 3.6 tp -80.49 88.21 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 26.2 mt -73.52 103.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 87' ' ' THR . 5.4 m -88.31 99.91 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 56.7 t-105 -82.15 142.88 31.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.479 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 61.7 mt -149.15 100.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.875 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.71 132.01 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.61 0.76 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -116.75 -20.19 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 90' ' ' GLY . 27.6 m -50.52 147.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.9 t -67.45 142.87 56.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.99 -59.49 0.59 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.4 tt -33.83 -69.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.492 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 11.6 mp0 -41.44 -46.22 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.54 -33.18 74.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.15 -15.94 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.605 ' HG2' HD23 ' A' ' 96' ' ' LEU . 5.6 mmpt? -95.37 -39.42 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.1 m -54.42 -39.2 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.66 -37.46 45.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.5 m -70.14 -32.11 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.779 ' OD2' HG21 ' A' ' 10' ' ' THR . 22.5 m-20 -84.69 5.7 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.82 -33.86 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m -59.52 -20.54 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.758 ' N ' HD12 ' A' ' 107' ' ' LEU . 1.6 mp -83.14 -48.92 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG21 ' CD1' ' A' ' 66' ' ' PHE . 21.9 t -63.11 -30.6 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -68.47 -33.41 74.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 2.7 mm-40 -48.79 -42.18 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 18' ' ' ARG . 85.6 t -86.58 -33.48 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 21' ' ' TYR . 75.7 t -102.57 93.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -120.58 -32.21 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.58 -21.13 65.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -59.04 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.777 ' HB2' ' HG3' ' A' ' 82' ' ' LYS . . . -95.49 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 13.7 tttp -160.63 163.56 32.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pp20? -88.13 123.53 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 132' ' ' ILE . 7.5 m-30 -99.02 100.58 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 120' ' ' VAL . 2.6 p -82.35 101.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.813 HG21 HD22 ' A' ' 127' ' ' LEU . 22.4 mt -109.76 145.55 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 p -119.68 -16.92 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.51 ' CG ' ' HZ3' ' A' ' 125' ' ' LYS . 3.9 t0 -119.01 127.19 53.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.481 ' HA ' HD23 ' A' ' 127' ' ' LEU . 24.5 mtm180 -52.43 -36.86 55.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.51 ' HZ3' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -53.83 -14.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 18.9 mt-10 -102.62 -17.4 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.813 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -68.19 -13.96 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.2 mt-10 -49.99 105.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' GLU . 7.0 pt-20 -36.53 -34.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.37 -48.69 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.98 -34.77 78.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 119' ' ' PHE . 30.8 mm -62.45 -54.31 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -56.18 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 m -42.99 -37.88 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.86 -56.73 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.821 HD21 ' HB2' ' A' ' 84' ' ' ALA . 76.4 mt -50.89 -41.38 58.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -39.97 -45.71 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -96.42 -46.45 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 60.62 43.64 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.67 -173.91 38.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -167.68 45.72 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -133.53 170.12 15.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -140.66 116.13 10.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -116.64 -40.0 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -59.7 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -101.96 159.02 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 149' ' ' GLU . 95.5 p -146.37 163.06 36.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 148' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -68.77 100.5 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.82 166.36 22.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.84 130.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.6 163.91 38.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.6 136.09 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -137.26 162.41 33.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 mmt -57.98 -42.26 84.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 170.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 m -152.84 147.31 25.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 42' ' ' THR . 10.0 mtpp -138.75 -179.23 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 tt -141.61 152.67 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.7 t0 -91.13 43.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 13' ' ' ASP . 4.9 mtmp? -21.97 -50.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 13' ' ' ASP . 7.5 pt-20 -54.07 -56.97 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.64 -38.21 77.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.8 m -57.46 -59.03 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 19' ' ' ALA . 4.3 tmm_? -47.02 -41.04 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 23' ' ' LEU . . . -60.98 -47.47 86.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.91 81.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -66.47 -16.9 64.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -91.23 -38.61 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -57.62 -19.25 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.34 -37.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -73.74 -26.79 60.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -74.88 179.89 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -114.9 -5.07 12.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.28 -22.42 24.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.1 m -97.2 102.59 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.94 -20.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 HD23 ' A' ' 23' ' ' LEU . 3.9 t -49.95 136.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 pt -123.94 -14.92 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.9 p-90 -142.33 144.82 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 48' ' ' GLN . 2.9 m -145.01 123.34 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -95.04 152.78 18.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 80.6 m-85 -130.59 97.29 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.4 174.16 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -94.64 147.48 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.9 t0 -119.96 14.85 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.22 75.98 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.84 22.92 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 11' ' ' LYS . 19.7 m -158.88 133.16 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.66 137.39 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 13' ' ' ASP . 32.7 m -149.84 140.92 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.6 Cg_exo -52.01 116.9 3.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.98 -112.33 0.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.67 166.8 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.7 tt0 -163.05 140.9 7.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.02 171.86 35.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.95 -16.15 21.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 22.9 t0 -83.62 104.87 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.6 ' HE2' HG11 ' A' ' 69' ' ' VAL . 4.6 t80 -54.94 -29.07 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -68.66 -21.61 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -80.07 -27.54 39.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -77.34 -41.88 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 56' ' ' ILE . 95.4 mt -68.63 -16.68 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 4.8 mm-40 -85.64 3.01 42.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -109.1 -30.69 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -78.63 116.03 18.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.478 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 21.4 p -132.88 177.98 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.72 7.47 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.28 20.03 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' LEU . 11.9 p -157.39 153.77 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.747 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -146.95 126.14 12.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.849 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -163.15 168.83 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 108' ' ' VAL . 7.5 m-85 -87.69 161.84 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -147.79 109.51 4.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 83' ' ' PHE . 72.3 t80 -95.2 107.14 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.4 t -113.17 144.95 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' NH2' ' HB3' ' A' ' 81' ' ' SER . 14.9 ttt85 -93.57 133.89 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 14.4 m-85 -128.49 100.6 5.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 101.77 13.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.9 p -78.71 -51.51 9.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.8 63.4 3.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.94 -48.37 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -93.18 165.22 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 82.7 mmm -39.33 -58.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 t -74.29 107.4 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -98.86 123.97 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB3' ' NH2' ' A' ' 70' ' ' ARG . 5.0 p -88.82 122.47 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.825 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.553 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 18.9 mmmt -99.84 174.4 6.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 2.5 m-85 -163.0 161.08 25.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.684 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -157.35 129.39 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.74 HD21 ' CG1' ' A' ' 108' ' ' VAL . 7.2 tp -81.49 94.77 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.424 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt -75.0 99.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.8 m -81.64 100.61 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 60.2 t-105 -85.62 141.62 29.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.501 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 55.4 mt -147.97 100.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.746 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.35 136.29 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -77.93 9.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -116.07 -27.89 6.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 90' ' ' GLY . 28.2 m -51.07 146.09 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.204 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLY . 23.2 t -61.39 141.02 57.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -37.17 -52.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.502 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.0 tt -39.68 -67.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -39.88 -48.22 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -65.61 -33.72 76.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -75.9 -17.72 59.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -95.17 -38.33 10.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.7 m -56.68 -32.41 65.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.89 -32.2 57.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.5 m -77.82 -40.84 39.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.44 -9.15 55.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -58.67 -35.76 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.477 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 19.0 m -58.24 -23.13 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 107' ' ' LEU . 5.3 mt -77.31 -50.2 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.74 ' CG1' HD21 ' A' ' 85' ' ' LEU . 40.4 t -63.42 -30.44 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.449 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 1.5 tmmm? -65.91 -42.97 89.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LYS . 1.8 mm-40 -37.3 -39.33 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.3 -44.89 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 21' ' ' TYR . 89.0 t -90.58 98.73 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.17 -37.81 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 6.7 t30 -61.43 -29.18 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.05 -170.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 -66.77 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 6.8 tttp -162.53 165.98 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -88.49 127.19 35.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.2 m-30 -101.28 106.75 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.441 HG23 ' OE2' ' A' ' 118' ' ' GLU . 64.6 t -83.38 100.44 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.847 HG21 HD22 ' A' ' 127' ' ' LEU . 31.5 mt -112.58 142.47 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.415 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.62 -17.14 8.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -117.14 126.9 53.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HA ' HD23 ' A' ' 127' ' ' LEU . 18.7 mtm180 -51.9 -35.6 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -53.46 -15.77 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.9 mt-10 -103.48 -16.09 15.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 121' ' ' ILE . 4.0 mm? -69.1 -14.12 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' PHE . 10.1 mt-10 -50.0 106.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 47.1 tt0 -39.33 -35.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -56.91 -44.06 82.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 35.2 t80 -67.84 -36.49 80.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.415 HG23 ' CD2' ' A' ' 119' ' ' PHE . 34.3 mm -57.9 -48.75 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.98 -58.31 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.0 t -40.63 -39.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -67.4 -55.74 12.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 84' ' ' ALA . 95.3 mt -50.18 -37.75 36.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -48.1 -38.83 18.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' ALA . 2.5 pttm -112.43 18.09 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -35.83 -61.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -94.35 -105.38 1.89 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -175.17 166.46 38.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.449 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -42.07 -46.63 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.08 176.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 67.58 42.03 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -165.18 151.16 9.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -141.39 153.98 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -52.48 135.79 33.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.7 m -122.32 119.66 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -92.89 -29.07 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -53.04 -41.89 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.43 46.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.65 117.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -143.75 166.48 24.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 7' ' ' THR . 17.3 m 60.94 40.25 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 mmt -141.12 103.14 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.91 153.63 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.519 HG21 ' CG ' ' A' ' 104' ' ' ASP . 15.8 m -161.56 145.72 12.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -136.16 -179.79 5.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.3 tt -145.03 150.11 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -92.08 49.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 13' ' ' ASP . 28.8 mtpt -26.3 -43.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -56.84 -58.79 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -71.04 -32.88 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 111' ' ' VAL . 33.9 m -62.99 -52.8 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 24.0 ttp180 -51.6 -34.1 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.876 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -66.33 -47.33 73.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.575 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -67.33 -44.79 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 0.9 OUTLIER -67.27 -17.24 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 83.1 m-20 -92.11 -43.42 9.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -53.29 -16.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.1 p -106.03 -39.7 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -28.94 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.71 159.88 33.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -104.97 18.95 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.66 3.73 6.55 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.67 ' OG ' HD13 ' A' ' 23' ' ' LEU . 2.0 m -113.27 107.07 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.711 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -38.85 -24.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 t -60.58 128.02 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -119.34 -15.62 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.9 p-90 -139.27 144.59 38.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.746 HG12 ' HG3' ' A' ' 48' ' ' GLN . 22.6 m -144.24 134.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -104.57 153.11 21.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -127.98 96.39 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -99.53 171.41 7.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CE2' HG12 ' A' ' 43' ' ' ILE . 81.8 m-85 -97.27 147.44 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -119.98 9.11 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 131.54 70.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.571 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.03 22.1 5.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -153.37 118.91 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 38' ' ' TYR . 32.1 mt -66.51 136.05 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG12 ' CG ' ' A' ' 13' ' ' ASP . 31.6 m -150.43 146.09 19.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.19 113.24 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.53 -99.59 0.27 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' OE1' ' A' ' 58' ' ' GLN . 10.6 m-20 -90.35 169.38 11.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.715 0.293 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.746 ' HG3' HG12 ' A' ' 34' ' ' VAL . 21.0 tt0 -163.65 139.99 6.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 171.82 38.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -94.06 -21.68 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 9.1 t0 -82.69 105.69 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.767 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.32 -27.69 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -67.96 -23.43 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -77.11 -28.21 54.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.665 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.43 -42.3 44.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 86.4 mt -67.58 -17.19 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -85.28 2.02 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' OE1' ' OD1' ' A' ' 47' ' ' ASP . 11.9 mm-40 -107.34 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 60.3 m -75.81 116.59 16.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.857 ' OG1' HG12 ' A' ' 63' ' ' VAL . 30.8 p -130.19 172.07 12.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 4.9 p30 -77.18 0.4 21.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -119.64 18.2 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.1 p -153.06 152.47 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.541 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -144.17 136.52 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.757 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -173.45 164.78 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.705 ' CE1' HG21 ' A' ' 108' ' ' VAL . 15.8 m-85 -81.44 158.05 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -146.91 101.46 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 24' ' ' VAL . 6.9 t80 -90.18 118.26 29.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' A' ' 52' ' ' TYR . 29.9 t -121.77 143.64 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.545 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 ttt180 -96.82 120.23 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -114.26 103.4 11.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.2 154.68 4.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.2 p -152.11 157.62 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -155.11 -140.35 2.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.28 42.84 11.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' MET . . . -153.54 169.55 22.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' ALA . 7.9 tpt -36.18 -48.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.4 m -130.37 168.69 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -91.23 143.03 27.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -151.62 177.33 10.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -130.41 147.29 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 27.1 mmmt -111.36 174.18 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.545 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 3.7 m-85 -157.93 173.32 16.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.746 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -171.57 125.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 118' ' ' GLU . 11.1 tp -76.0 90.58 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 121' ' ' ILE . 18.4 mt -70.47 100.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 119' ' ' PHE . 53.1 m -85.78 101.22 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 59.5 t-105 -84.72 143.52 29.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 90' ' ' GLY . 59.9 mt -150.2 99.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.26 138.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.94 11.16 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -118.45 -28.59 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 90' ' ' GLY . 33.9 m -50.46 146.39 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 40.5 t -63.37 145.01 56.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -34.71 -58.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' ALA . 6.5 tp -33.97 -70.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' OE1' ' NE ' ' A' ' 64' ' ' ARG . 1.7 mm-40 -38.97 -39.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -77.07 -33.46 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -79.54 -17.4 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -96.91 -50.33 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.8 m -47.21 -32.35 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.11 -27.95 51.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.4 m -79.55 -33.83 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.519 ' CG ' HG21 ' A' ' 10' ' ' THR . 73.1 m-20 -77.83 -2.21 35.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -59.62 -37.17 77.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.521 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 22.6 m -55.52 -23.29 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 107' ' ' LEU . 5.0 mt -79.02 -49.87 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 66' ' ' PHE . 33.7 t -63.34 -31.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -66.54 -39.65 88.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.46 -42.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 17' ' ' CYS . 75.7 t -80.49 -48.67 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.53 ' HB ' ' CD2' ' A' ' 21' ' ' TYR . 2.6 p -100.43 100.69 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -119.88 -29.66 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.2 t30 -63.69 -26.36 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -52.61 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.27 -66.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 1.8 ttmt -164.91 157.04 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 5.2 pt-20 -84.87 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CD2' HG23 ' A' ' 132' ' ' ILE . 10.5 m-30 -108.85 106.9 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.2 t -82.73 100.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.742 HG21 HD22 ' A' ' 127' ' ' LEU . 23.6 mt -110.94 144.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.441 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -118.41 -18.88 9.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -114.55 124.68 52.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 127' ' ' LEU . 16.3 mtm105 -51.75 -35.52 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -15.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.507 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -102.66 -15.88 16.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -68.71 -14.72 63.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 129' ' ' GLU . 5.4 mt-10 -49.95 105.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 41.9 tt0 -37.11 -34.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -56.69 -47.3 80.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 128' ' ' GLU . 51.9 t80 -66.36 -36.77 83.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.473 HG23 ' CD2' ' A' ' 119' ' ' PHE . 32.0 mm -56.82 -52.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.82 -58.6 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.4 m -41.01 -44.49 2.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 139' ' ' ALA . 5.4 mm-40 -59.85 -61.78 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 84' ' ' ALA . 56.9 mt -42.82 -42.65 3.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -48.78 -40.67 29.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.38 6.41 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.658 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -49.85 110.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -106.75 -116.12 4.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.432 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 67.92 45.55 72.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 55.22 44.09 28.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 111.072 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 143' ' ' ASN . 21.0 p-10 -81.03 101.52 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.85 179.43 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -88.21 143.68 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.11 140.08 32.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -132.75 144.48 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.4 m -150.34 128.84 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.921 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m 54.68 40.8 32.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -100.03 -42.97 6.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.58 113.39 5.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.5 -43.81 15.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.24 -26.52 62.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.713 HG22 ' H ' ' A' ' 8' ' ' MET . 0.2 OUTLIER 69.69 -170.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.107 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.713 ' H ' HG22 ' A' ' 7' ' ' THR . 1.7 ttt -156.39 172.84 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.67 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -71.92 151.56 43.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -133.04 168.42 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 13.1 tt -134.18 143.26 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.9 m-20 -82.45 44.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.5 mtmp? -22.53 -49.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.5 pt-20 -53.33 -58.91 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.89 -35.2 78.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 m -61.13 -62.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 31.8 ttp180 -43.56 -38.37 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.82 -51.51 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.076 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.46 -45.8 85.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.3 t80 -60.64 -21.09 62.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.4 m-20 -88.58 -44.86 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.7 mm? -52.18 -18.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 HG12 ' A' ' 31' ' ' VAL . 20.7 t -104.99 -40.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 114' ' ' ASN . 3.9 ttt85 -65.83 -32.81 74.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -70.4 124.93 25.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -71.4 2.32 5.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.41 -7.91 47.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 2.1 m -107.1 109.96 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -38.07 -31.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' CD ' ' A' ' 48' ' ' GLN . 2.1 t -50.07 132.18 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -120.77 -16.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 48' ' ' GLN . 43.3 p-90 -140.03 156.78 46.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.3 p -155.23 139.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 p -110.5 151.35 27.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 53.3 m-85 -129.18 97.9 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -97.81 172.19 7.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 43' ' ' ILE . 89.1 m-85 -91.85 147.07 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.3 t0 -119.89 17.6 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 119.76 73.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.82 24.21 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -158.05 123.75 4.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.642 HD13 ' CG2' ' A' ' 108' ' ' VAL . 24.7 mt -70.78 133.88 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.7 m -148.46 147.14 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.06 117.22 3.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.279 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.09 -104.57 1.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 18.9 m-20 -86.81 167.71 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.612 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.3 tt0 -168.21 150.47 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.93 174.83 38.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.41 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.25 -12.69 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.14 104.51 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 129' ' ' GLU . 4.2 t80 -53.12 -29.51 31.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -69.33 -23.32 63.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -77.44 -27.85 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.11 -45.95 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 90.8 mt -63.62 -21.04 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 6.1 mm-40 -80.59 1.38 29.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 15.2 mm-40 -105.31 -45.87 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HB2' ' CD1' ' A' ' 88' ' ' TRP . 4.9 p -67.99 116.11 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.508 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 26.1 p -129.35 -179.75 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.89 3.26 20.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -120.08 18.61 12.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 65' ' ' LEU . 7.3 p -156.46 157.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -147.88 123.73 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.824 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.13 165.03 32.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -84.8 155.1 21.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.25 103.54 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 78.2 t80 -89.51 111.84 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 10.8 t -117.53 145.55 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 2.3 ttp180 -90.17 131.41 36.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 65.3 m-85 -131.13 104.98 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' THR . 29.9 p -44.43 -46.43 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' THR . 62.5 p 44.32 -170.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 161.12 125.88 0.8 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 7.0 m-20 -109.05 17.72 21.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 75' ' ' ASP . . . 69.8 -1.86 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -91.82 -54.25 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -148.43 110.6 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.85 107.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -168.2 135.57 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -55.37 147.74 16.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 21.3 mtpp -115.07 -29.55 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 20.4 m-85 62.58 -175.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.768 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.02 126.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 12.9 tp -87.47 93.85 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG23 HD12 ' A' ' 121' ' ' ILE . 19.5 mt -76.97 103.71 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 119' ' ' PHE . 16.6 m -84.8 100.82 11.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.582 ' CD1' ' HB2' ' A' ' 59' ' ' CYS . 58.6 t-105 -81.92 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.904 HG21 ' HG2' ' A' ' 98' ' ' ARG . 75.2 mt -153.98 99.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.24 136.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.439 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.54 6.14 15.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.56 -21.18 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.473 HG11 ' HD2' ' A' ' 64' ' ' ARG . 2.6 t -50.69 159.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 24.7 t -74.46 134.66 42.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.86 -47.9 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.466 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.585 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.9 tt -55.03 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.449 ' HB2' HG12 ' A' ' 93' ' ' VAL . 11.6 mt-30 -51.96 -37.87 54.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.904 ' HG2' HG21 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -75.26 -29.25 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.41 -9.28 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' CG ' HD23 ' A' ' 96' ' ' LEU . 9.2 mmpt? -92.25 -39.88 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 m -55.99 -40.63 73.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.59 89.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.8 m -72.0 -38.73 69.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.159 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 29.3 m-20 -73.7 -7.06 50.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -58.48 -35.42 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -57.56 -23.92 53.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.479 ' N ' HD23 ' A' ' 107' ' ' LEU . 3.3 mt -80.67 -51.55 8.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 66' ' ' PHE . 43.8 t -60.74 -31.49 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -66.83 -38.26 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.78 -38.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.58 -43.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 21' ' ' TYR . 80.4 t -93.19 99.49 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -123.05 -32.03 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 25' ' ' ARG . 2.5 p-10 -67.79 -26.84 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.49 -170.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -93.85 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.615 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.6 tttp -161.15 163.65 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -88.19 123.56 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.8 m-30 -99.2 101.67 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 120' ' ' VAL . 3.3 p -82.33 100.49 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 127' ' ' LEU . 33.7 mt -109.54 143.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 p -119.8 -16.76 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.8 126.37 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -50.84 -36.64 38.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.59 -16.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.7 mt-10 -103.58 -19.09 14.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -66.44 -13.77 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' PHE . 6.9 mt-10 -50.32 106.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 31.4 tt0 -38.77 -36.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 2.0 p30 -55.57 -44.45 76.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.51 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 41.0 t80 -68.15 -35.25 77.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.6 mm -59.2 -49.87 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -49.76 -60.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 t -39.34 -41.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.19 -57.49 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 84' ' ' ALA . 67.6 mt -54.75 -37.83 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -51.04 -40.45 58.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -115.81 19.53 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -31.78 -65.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 70.29 131.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.2 106.6 0.95 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -123.93 108.37 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -67.06 145.75 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 144' ' ' TYR . 0.2 OUTLIER -94.35 139.28 31.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -43.41 42.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -38.73 -49.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -70.67 124.43 24.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 27.4 m -83.54 141.49 31.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -83.0 -52.49 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 pm0 -79.01 167.94 20.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 67.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.3 140.16 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.13 137.94 32.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.8 p -99.13 172.67 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -48.52 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 173.76 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.6 m -156.19 141.49 17.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.193 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 11' ' ' LYS . 4.1 mmpt? -118.75 165.74 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 15.7 tt -129.66 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -91.9 44.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' C ' ' O ' ' A' ' 13' ' ' ASP . 9.6 mtpp -22.13 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.1 mt-10 -55.93 -61.31 2.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -63.98 -31.84 73.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 m -65.47 -55.56 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -40.08 -40.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.805 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.2 -51.6 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -64.22 -45.45 88.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.764 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.0 t80 -62.21 -21.26 64.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -91.45 -42.88 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.6 mm? -50.36 -16.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' HB2' ' A' ' 70' ' ' ARG . 2.1 p -112.14 -37.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ttt180 -67.02 -31.07 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 17.1 t70 -60.61 169.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -56.92 -60.81 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.89 72.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.759 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.2 m -82.08 19.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.07 15.12 7.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' H ' ' A' ' 49' ' ' GLY . 58.4 t -140.41 128.92 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.5 pt -112.63 -11.33 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.529 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 40.4 p-90 -143.8 145.66 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.747 HG12 ' HG2' ' A' ' 48' ' ' GLN . 33.1 m -147.43 130.24 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -99.93 158.44 15.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 63.0 m-85 -134.24 95.48 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -99.93 172.19 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 43' ' ' ILE . 69.9 m-85 -92.82 143.18 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -116.73 14.22 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.58 73.57 0.26 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 22.2 6.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -157.44 120.9 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 38' ' ' TYR . 13.8 mt -69.74 139.84 19.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG12 ' CG ' ' A' ' 13' ' ' ASP . 11.8 m -154.69 149.74 20.52 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.98 120.1 6.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.42 -97.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.94 176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.747 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.6 mt-30 -159.18 155.83 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' HG13 ' A' ' 31' ' ' VAL . . . 158.62 164.85 14.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.62 -16.74 28.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.02 103.44 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.699 ' HE2' HG11 ' A' ' 69' ' ' VAL . 6.1 t80 -54.77 -26.53 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 8.5 mm-40 -68.41 -21.97 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -78.97 -28.08 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.78 -42.55 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -67.75 -17.68 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.203 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -84.07 1.92 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -108.12 -30.25 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 61.4 m -76.7 115.73 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.541 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.5 p -130.29 172.37 11.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.7 p-10 -75.64 2.54 11.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -120.18 19.77 12.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.578 HG22 HD12 ' A' ' 65' ' ' LEU . 9.1 p -156.08 152.93 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.24 135.24 23.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.765 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -171.9 166.77 6.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 12.7 m-85 -82.07 157.2 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -143.83 102.46 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 24' ' ' VAL . 9.1 t80 -91.56 114.89 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.699 HG11 ' HE2' ' A' ' 52' ' ' TYR . 20.1 t -120.72 144.7 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB2' HG22 ' A' ' 24' ' ' VAL . 21.9 ttt180 -99.9 116.91 33.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 18.1 m-85 -108.65 101.18 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -82.72 100.0 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 t -119.84 -30.87 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.215 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.91 -66.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.29 6.4 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.54 176.41 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -61.06 -59.7 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -53.0 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -89.26 116.53 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -100.26 -63.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.0 p -151.54 140.89 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 26.6 mtpt -104.85 170.35 7.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -159.05 169.69 23.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -167.7 134.52 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.2 92.07 6.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 19.5 mt -73.8 100.14 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 m -84.45 100.05 11.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.584 ' CH2' ' O ' ' A' ' 122' ' ' SER . 59.6 t-105 -84.2 138.1 33.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 48.7 mt -146.23 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.968 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.39 122.01 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -3.0 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -108.8 -22.75 12.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.968 HG22 ' O ' ' A' ' 90' ' ' GLY . 19.2 m -53.66 150.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 95' ' ' GLY . 66.4 m -58.52 131.84 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -35.53 -54.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 99' ' ' ALA . 2.9 tt -39.36 -65.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -38.83 -44.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.3 tmt_? -68.97 -37.12 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -70.14 -17.42 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -41.8 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -51.83 -38.13 54.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.34 71.52 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -73.41 -36.16 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 5.0 m-20 -73.21 -3.49 27.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HD3' ' CD ' ' A' ' 118' ' ' GLU . 6.3 ttpt -67.52 -32.98 74.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.5 m -52.08 -24.23 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -83.18 -52.9 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 66' ' ' PHE . 20.9 t -59.37 -29.21 41.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.8 -29.88 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 21.7 mm-40 -50.23 -48.23 54.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.431 HG13 HG23 ' A' ' 112' ' ' VAL . 7.6 p -80.11 -39.19 19.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.764 HG22 ' CD1' ' A' ' 21' ' ' TYR . 37.3 t -96.99 99.17 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.83 -36.32 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 3.7 m120 -61.81 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -51.92 -172.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -97.33 -66.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 16.3 tttt -160.89 164.97 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.6 pt-20 -88.1 130.32 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.553 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.0 m-30 -102.78 100.4 10.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.76 102.35 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.757 HG21 HD22 ' A' ' 127' ' ' LEU . 32.8 mt -115.12 146.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.584 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.48 -21.85 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.77 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -53.74 -33.46 55.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 19.9 mmtt -53.92 -18.71 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 15.8 mt-10 -101.82 -13.85 17.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.757 HD22 HG21 ' A' ' 121' ' ' ILE . 3.7 mm? -70.54 -15.65 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' PHE . 5.7 mt-10 -50.05 106.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -36.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 131' ' ' PHE . 1.2 p30 -55.49 -46.09 76.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.501 ' N ' ' OD1' ' A' ' 130' ' ' ASP . 56.6 t80 -66.57 -36.03 81.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.553 HG23 ' CD2' ' A' ' 119' ' ' PHE . 28.3 mm -55.27 -50.39 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -51.51 -58.94 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -40.47 -38.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -69.23 -60.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 84' ' ' ALA . 96.5 mt -42.41 -38.65 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -53.28 -40.91 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -115.76 19.4 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -34.75 -50.49 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 57.91 78.09 0.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -174.58 70.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -117.06 161.78 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.16 101.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -39.52 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -46.38 -45.39 17.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 44.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.9 m -50.85 -54.08 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -80.81 -44.89 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -51.58 129.72 26.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.51 17.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.01 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.94 154.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.8 m -139.62 118.74 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.461 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -60.66 171.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 69.77 -170.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.513 HG21 ' OD2' ' A' ' 104' ' ' ASP . 14.9 m -162.14 146.46 12.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -136.27 -179.08 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 tt -145.33 138.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.541 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.1 m-20 -81.53 47.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 13' ' ' ASP . 65.8 mttt -25.56 -48.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ASP . 10.3 pt-20 -53.32 -54.53 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -72.36 -34.0 67.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -62.31 -60.59 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 47.7 ttp180 -44.96 -42.46 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.62 -49.86 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.028 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.47 -40.1 95.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.38 -22.2 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 50.1 m-20 -86.16 -46.92 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD13 ' OG ' ' A' ' 29' ' ' SER . 2.5 mm? -48.0 -20.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.5 p -104.72 -27.61 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -77.64 -25.6 49.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -75.98 172.21 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -108.47 -15.55 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.34 0.23 77.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.714 ' OG ' HD13 ' A' ' 23' ' ' LEU . 2.5 m -110.81 104.95 13.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -43.12 -20.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' SER . 92.8 t -57.16 130.34 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 pt -119.97 -14.58 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.501 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 51.0 p-90 -142.72 163.8 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 ' HB1' ' A' ' 20' ' ' ALA . 11.7 p -161.88 140.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 p -109.43 155.0 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 83.1 m-85 -133.67 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -99.97 175.76 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' A' ' 43' ' ' ILE . 53.2 m-85 -100.4 146.74 26.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -121.05 17.9 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.39 66.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 26.47 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -155.73 112.63 3.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 38' ' ' TYR . 17.9 mt -63.19 139.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 13' ' ' ASP . 14.6 m -155.35 142.72 13.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.13 107.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.767 2.312 . . . . 0.0 112.258 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.02 -96.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -92.37 169.66 10.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 33' ' ' TRP . 27.2 tt0 -169.97 146.82 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 172.38 176.68 41.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -93.37 -27.16 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 106.96 12.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.76 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.9 t80 -54.38 -27.15 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -67.01 -23.61 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -76.79 -28.83 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -76.12 -45.3 34.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.02 -19.35 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.471 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.1 mm-40 -81.18 0.84 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -107.71 -30.36 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 60.8 m -76.89 116.0 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.632 ' OG1' HG12 ' A' ' 63' ' ' VAL . 39.6 p -134.43 172.81 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.18 5.12 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.01 17.11 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -155.77 161.18 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.554 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -152.54 124.94 8.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.52 169.8 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.1 m-85 -88.23 154.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -141.9 109.82 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 29.2 t80 -94.27 109.97 21.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HE2' ' A' ' 52' ' ' TYR . 55.6 t -113.07 140.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 43.2 ttt-85 -89.43 124.37 34.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.632 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 37.9 m-85 -122.52 104.7 9.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -58.19 -12.9 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -50.25 142.48 9.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.81 -147.27 5.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 19.5 t0 -167.89 126.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 75' ' ' ASP . . . 68.79 -170.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.6 mtp -44.89 -44.39 9.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -69.86 126.07 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -135.66 102.18 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -145.29 161.52 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 96.8 p -64.88 136.39 56.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 1.6 mptp? -117.28 -31.23 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 14.9 m-85 65.43 -171.16 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -178.97 125.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 85' ' ' LEU . 12.2 tp -81.39 85.63 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.686 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -69.81 105.29 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 83.5 m -90.8 99.84 12.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 58.1 t-105 -81.36 144.96 31.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.874 HG21 ' HG2' ' A' ' 98' ' ' ARG . 72.4 mt -151.42 101.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -36.11 133.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.43 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.07 -10.6 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.79 -22.55 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 97' ' ' GLN . 7.3 t -50.76 149.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 95' ' ' GLY . 1.4 t -65.94 132.8 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.58 -39.47 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.423 HD23 ' HG3' ' A' ' 100' ' ' LYS . 6.1 tt -59.08 -65.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB2' HG12 ' A' ' 93' ' ' VAL . 10.6 mm-40 -50.15 -35.65 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.874 ' HG2' HG21 ' A' ' 89' ' ' ILE . 6.5 tmm_? -74.95 -27.1 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.34 49.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 5.5 mmpt? -92.38 -41.8 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.5 m -51.84 -39.78 59.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.04 77.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.6 m -75.15 -36.88 61.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.513 ' OD2' HG21 ' A' ' 10' ' ' THR . 2.4 m-20 -74.77 -1.09 20.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.19 -35.49 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.3 m -54.09 -24.23 16.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -81.46 -49.48 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 66' ' ' PHE . 94.1 t -60.17 -34.41 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -64.28 -37.07 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.43 -28.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.4 t -98.22 -34.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -102.35 99.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.93 -27.49 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 15.93 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -96.78 -166.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -91.67 -69.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 12.6 tttp -168.13 161.35 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 2.8 pt-20 -81.55 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -107.28 100.36 9.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.6 t -79.19 100.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.768 HG21 HD22 ' A' ' 127' ' ' LEU . 16.2 mt -112.3 140.16 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.492 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -116.88 -19.13 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -114.06 125.09 53.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -51.1 -38.12 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -50.87 -16.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 8.8 mt-10 -102.04 -19.96 14.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.768 HD22 HG21 ' A' ' 121' ' ' ILE . 2.2 mm? -66.12 -15.46 63.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 106.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.778 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -38.85 -35.9 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -67.09 -37.38 83.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.494 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 27.6 mm -54.3 -47.83 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.12 -58.2 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.2 t -40.99 -34.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -71.03 -62.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 84' ' ' ALA . 68.8 mt -46.21 -34.43 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -43.35 -35.3 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -39.86 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 48.5 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.063 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 179.59 40.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -146.29 -54.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.01 106.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -99.2 -48.09 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -55.96 128.03 33.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -108.42 171.55 7.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.44 127.48 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -125.28 164.2 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.5 m -139.18 161.43 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -69.11 100.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -94.03 158.49 15.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -175.86 -133.05 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 69.33 0.42 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.093 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.59 16.14 22.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 8' ' ' MET . 7.5 m -78.44 158.97 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -83.91 11.47 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 68.32 -169.94 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.3 m -134.89 142.48 46.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.517 ' C ' HG23 ' A' ' 42' ' ' THR . 7.7 mmmm -119.7 166.8 12.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' THR . 12.8 tt -140.81 144.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 15' ' ' GLU . 1.6 m-20 -83.01 44.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.6 mtpt -25.46 -43.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.2 mt-10 -58.23 -59.85 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.8 -31.61 70.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 m -65.74 -55.11 19.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HA ' HG11 ' A' ' 111' ' ' VAL . 38.0 ttp180 -48.89 -32.33 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -64.31 -48.34 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.73 -42.84 85.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -68.54 -15.72 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 22.7 m-20 -88.61 -36.39 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB3' HG11 ' A' ' 31' ' ' VAL . 1.5 mm? -58.69 -27.14 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 31' ' ' VAL . 55.7 t -95.39 -29.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 11.8 ptt85 -75.01 -25.15 58.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.14 169.35 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' GLY . 2.6 t0 -62.43 98.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . 32.15 70.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.94 36.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.727 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 71.12 18.21 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.902 HG21 ' HG2' ' A' ' 48' ' ' GLN . 2.6 p -154.48 141.61 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -123.13 -10.51 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 48.8 p-90 -145.6 143.17 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.002 HG12 ' HG3' ' A' ' 48' ' ' GLN . 30.7 m -142.3 122.48 10.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 67' ' ' ALA . 5.4 p -93.89 153.0 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 82.1 m-85 -132.81 99.58 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 43' ' ' ILE . 86.6 m-85 -94.01 146.39 23.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -116.14 15.14 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.17 -85.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.98 13.24 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 11' ' ' LYS . 29.9 m -155.38 147.75 23.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.2 mt -82.99 145.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 13' ' ' ASP . 30.5 m -152.0 150.47 25.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.726 0.774 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.94 118.94 4.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.793 2.329 . . . . 0.0 112.336 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.76 -90.69 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.432 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 172.79 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 1.002 ' HG3' HG12 ' A' ' 34' ' ' VAL . 5.1 tt0 -162.83 128.75 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' CD1' ' A' ' 33' ' ' TRP . . . -175.32 163.74 33.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -21.27 23.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.705 0.288 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 0.6 OUTLIER -81.04 108.99 15.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.85 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 129' ' ' GLU . 4.4 t80 -55.96 -29.69 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 32.7 mm-40 -68.09 -20.25 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -80.78 -26.07 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -78.8 -41.17 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.56 -17.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -82.99 1.01 42.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -107.95 -28.32 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 61.3 m -80.45 117.81 21.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.532 ' OG1' HG12 ' A' ' 63' ' ' VAL . 16.0 p -134.94 171.23 14.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 84.0 m-20 -74.0 1.95 9.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -120.03 19.82 12.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.56 HG22 HD12 ' A' ' 65' ' ' LEU . 11.0 p -157.01 155.14 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.536 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -148.21 134.22 19.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.41 166.93 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.749 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.7 m-85 -87.38 161.18 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 35' ' ' THR . . . -150.61 112.25 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 80.2 t80 -94.1 110.12 21.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 15.2 t -115.29 141.69 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -92.67 131.83 37.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.648 ' CD1' HD11 ' A' ' 136' ' ' LEU . 40.2 m-85 -126.91 113.01 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 118.5 17.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.1 p -95.97 114.23 25.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -167.92 133.17 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.1 -66.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.97 -73.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.1 mtm -119.91 -12.32 9.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.423 ' C ' ' HD2' ' A' ' 79' ' ' LYS . 1.4 t -63.47 137.26 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 78' ' ' SER . 5.5 mptt -143.09 116.21 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -152.11 176.48 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.3 p -140.61 129.05 22.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 14.5 mtpt -118.44 -21.88 7.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 8.5 m-85 58.98 -170.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.94 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -177.03 127.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 115' ' ' PHE . 7.4 tp -84.92 90.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 20.0 mt -74.87 100.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.1 m -86.52 100.37 12.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.531 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.5 t-105 -81.83 144.58 30.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 90' ' ' GLY . 67.3 mt -150.97 99.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.77 129.68 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.81 -17.36 62.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 19.7 t70 -94.57 -18.78 21.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.584 HG12 ' HB2' ' A' ' 97' ' ' GLN . 17.7 t -51.08 145.15 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 95' ' ' GLY . 32.3 t -65.08 133.93 52.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.24 -39.01 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 100' ' ' LYS . 2.0 tm? -56.93 -60.82 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.584 ' HB2' HG12 ' A' ' 93' ' ' VAL . 4.6 mm100 -57.19 -36.04 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.2 ttp85 -72.57 -33.39 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.53 -5.07 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.25 -44.89 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.1 m -52.06 -34.97 45.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.46 -36.43 77.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 m -70.22 -39.69 74.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 36.5 m-20 -74.92 -4.33 37.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 2.9 ttpm? -62.45 -34.82 77.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.5 m -55.59 -23.15 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.3 mt -79.24 -48.14 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.749 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.5 t -64.11 -34.41 68.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -32.91 74.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -48.94 -40.84 31.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.531 HG11 ' HA ' ' A' ' 18' ' ' ARG . 80.9 t -85.39 -40.3 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 21' ' ' TYR . 87.9 t -96.8 96.07 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.98 -36.89 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.661 ' CE2' ' C ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -54.87 -170.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.773 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -91.97 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.661 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 12.7 tttp -160.12 164.32 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.0 pm0 -88.05 121.93 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -98.71 101.45 12.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.3 t -80.21 100.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 127' ' ' LEU . 10.6 mt -112.76 139.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.485 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 1.5 m -119.39 -15.28 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -118.49 127.79 53.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -52.57 -36.51 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -51.78 -16.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.1 mt-10 -103.65 -17.36 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -67.75 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' GLU . 11.2 mt-10 -50.22 103.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 26.1 tt0 -36.09 -35.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.67 -48.84 69.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 23.9 t80 -66.92 -35.83 80.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 33.5 mm -59.43 -53.17 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -57.75 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.1 t -41.07 -41.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 139' ' ' ALA . 7.2 mm-40 -62.44 -63.04 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.94 HD21 ' HB2' ' A' ' 84' ' ' ALA . 87.3 mt -41.48 -41.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -50.37 -41.35 51.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -115.58 5.06 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -50.13 146.79 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.08 -151.34 9.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.437 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.42 171.15 45.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -102.29 125.47 49.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -85.07 130.66 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.31 161.01 18.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -150.67 137.57 19.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 147' ' ' GLN . . . -85.38 -45.57 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 146' ' ' ALA . 4.9 pt20 49.49 30.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.6 p -83.49 158.97 21.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -84.89 18.94 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -55.15 -60.65 3.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.07 112.59 3.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.76 124.43 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.56 101.3 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -146.01 145.5 30.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.0 mmm -40.82 -60.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.73 159.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.1 m -104.69 139.02 40.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -118.47 168.72 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 14.7 tt -136.07 139.86 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.8 m-20 -80.73 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.0 mtpp -25.34 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -53.3 -55.4 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -73.52 -33.04 64.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 27.0 m -61.3 -59.91 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HA ' HG11 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -47.82 -37.34 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.79 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.34 -49.33 77.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -66.89 -44.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -63.09 -18.0 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' ' HD3' ' A' ' 18' ' ' ARG . 75.7 m-20 -91.06 -39.72 12.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.1 mm? -55.97 -19.57 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' A' ' 31' ' ' VAL . 2.9 t -103.47 -39.44 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.647 HH12 ' ND2' ' A' ' 114' ' ' ASN . 2.0 ttt85 -69.93 -29.77 67.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.05 151.66 47.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -95.18 18.89 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.32 -10.93 6.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 2.3 m -107.71 113.0 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -49.06 -19.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.691 HG12 ' CG2' ' A' ' 24' ' ' VAL . 15.5 t -52.97 131.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 pt -120.67 -17.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.707 ' CB ' HG22 ' A' ' 69' ' ' VAL . 55.8 p-90 -137.39 146.77 44.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.736 HG12 ' HG3' ' A' ' 48' ' ' GLN . 7.0 m -146.64 118.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 p -91.32 152.3 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 20' ' ' ALA . 84.1 m-85 -130.41 97.73 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -97.78 172.81 7.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.83 146.88 23.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -119.31 14.14 12.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 121.97 73.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.85 25.89 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.8 m -160.34 126.2 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.457 HD13 HG23 ' A' ' 108' ' ' VAL . 18.0 mt -73.56 132.66 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 m -147.79 144.69 19.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.556 0.694 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HG3' ' HA ' ' A' ' 17' ' ' CYS . 53.7 Cg_exo -52.05 122.17 10.08 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.723 2.282 . . . . 0.0 112.273 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.59 -102.0 1.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.76 173.31 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.736 ' HG3' HG12 ' A' ' 34' ' ' VAL . 12.9 tt0 -167.01 137.15 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 174.88 169.14 36.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -93.45 -16.93 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.45 105.85 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -54.42 -28.49 44.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.68 -20.51 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -82.06 -26.6 33.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -78.74 -41.65 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 56' ' ' ILE . 90.4 mt -68.64 -17.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.065 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.466 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 5.0 mm-40 -85.12 2.6 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -110.3 -26.92 9.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 62.3 m -81.56 113.25 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.472 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 4.1 p -128.12 179.42 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.98 2.01 32.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -119.49 19.29 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 65' ' ' LEU . 13.8 p -154.65 158.4 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -151.75 128.2 10.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -164.2 162.87 22.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.599 ' CD1' HG21 ' A' ' 108' ' ' VAL . 19.4 m-85 -79.43 160.56 26.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.82 103.29 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 34' ' ' VAL . 70.4 t80 -90.34 107.12 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 33' ' ' TRP . 96.7 t -114.26 143.36 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 25.9 ttt-85 -94.24 129.1 41.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 73' ' ' THR . 37.3 m-85 -125.68 103.39 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' NH2' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -56.26 105.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 71' ' ' PHE . 2.5 t -160.15 99.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.78 137.22 8.71 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 76' ' ' ALA . 8.4 t0 -165.95 179.96 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.652 ' C ' ' O ' ' A' ' 75' ' ' ASP . . . 10.92 -83.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -99.55 -32.65 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.4 m -59.08 154.14 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 80' ' ' ARG . 28.0 mtmt -106.6 158.95 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -33.53 -55.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.7 m -124.74 135.13 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.716 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 25.5 mmmt -111.66 -28.85 7.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 10.1 m-85 57.94 -170.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.01 127.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 HG12 ' A' ' 108' ' ' VAL . 9.9 tp -85.78 87.35 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 121' ' ' ILE . 18.8 mt -72.32 104.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 119' ' ' PHE . 17.8 m -88.02 99.99 12.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 57.6 t-105 -79.83 144.33 33.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.765 HG21 ' HG3' ' A' ' 98' ' ' ARG . 68.1 mt -151.4 100.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.484 ' HA3' HG23 ' A' ' 93' ' ' VAL . . . -32.59 134.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -75.59 -9.55 58.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.49 -21.5 14.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' HA3' ' A' ' 90' ' ' GLY . 17.2 t -50.54 148.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 33.1 t -70.07 131.74 44.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -32.35 -39.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.533 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' SER . 1.6 tm? -52.59 -62.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.468 ' HB2' HG12 ' A' ' 93' ' ' VAL . 9.8 mm100 -59.02 -35.38 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.765 ' HG3' HG21 ' A' ' 89' ' ' ILE . 36.8 ttt180 -73.38 -26.52 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -89.77 -8.47 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 -43.58 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -50.42 -36.35 32.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.75 -33.57 76.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.3 m -73.77 -40.15 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 13.5 m-20 -68.05 -3.3 9.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HD2' ' CD ' ' A' ' 118' ' ' GLU . 5.2 ttpp -66.3 -32.41 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -54.32 -23.79 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.535 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -84.96 -53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 66' ' ' PHE . 99.7 t -56.96 -34.14 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -65.2 -32.56 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 24.2 mm-40 -48.02 -41.08 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.3 t -84.87 -42.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 21' ' ' TYR . 98.5 t -93.34 98.41 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -124.72 -31.12 3.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.647 ' ND2' HH12 ' A' ' 25' ' ' ARG . 37.7 t30 -69.83 -25.75 63.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.83 -170.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.716 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -95.38 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 7.3 tttm -161.52 161.19 29.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 9.4 pt-20 -84.69 133.33 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.4 m-30 -107.66 100.02 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.14 100.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.817 HG21 HD22 ' A' ' 127' ' ' LEU . 23.5 mt -114.35 142.58 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.455 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.8 OUTLIER -119.64 -16.78 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -117.25 126.45 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -51.44 -36.9 46.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -16.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 16.2 mt-10 -102.98 -18.64 14.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.817 HD22 HG21 ' A' ' 121' ' ' ILE . 3.5 mm? -66.92 -14.27 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.33 106.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 10.3 pm0 -39.88 -31.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.461 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 25.6 m-20 -58.13 -45.12 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.32 -37.21 80.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.37 -50.75 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -59.44 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.8 t -39.13 -38.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.15 -59.52 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.643 HD11 ' CD2' ' A' ' 71' ' ' PHE . 97.1 mt -48.74 -42.07 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -50.29 -42.84 53.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 139' ' ' ALA . 34.7 pttt -106.5 19.76 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -34.06 -50.28 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.9 -159.21 9.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 150.11 144.57 3.96 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -164.15 117.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -108.89 129.48 55.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.04 -7.1 17.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.89 168.9 18.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -158.27 119.81 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.6 m 61.73 -169.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -116.22 19.85 14.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.26 103.02 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.93 118.85 6.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.58 161.11 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.323 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.59 99.98 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.6 p -147.08 135.37 21.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 tpt -78.46 -43.86 26.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.79 121.17 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.557 HG21 ' CG ' ' A' ' 104' ' ' ASP . 27.3 m -99.74 146.08 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -124.98 166.28 16.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.546 ' HB ' HD12 ' A' ' 43' ' ' ILE . 12.3 tt -128.97 145.54 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.569 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.6 t0 -78.69 44.81 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.1 mttt -22.94 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . 6.0 pt-20 -55.93 -57.69 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -68.97 -37.64 78.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 53.3 m -59.79 -59.58 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' HA ' HG11 ' A' ' 111' ' ' VAL . 17.6 ttp180 -44.75 -40.92 6.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.558 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.24 -49.64 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -64.23 -45.28 88.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.618 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.9 t80 -62.19 -20.79 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 72.8 m-20 -90.94 -43.15 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.71 -18.63 3.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.79 HG22 HG12 ' A' ' 31' ' ' VAL . 55.1 t -105.7 -39.76 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 0.8 OUTLIER -68.71 -32.62 72.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -66.42 136.95 56.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -82.61 17.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.76 -6.26 10.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.8 m -108.64 110.7 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -39.36 -32.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG12 HG22 ' A' ' 24' ' ' VAL . 2.9 t -45.98 130.45 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 pt -119.72 -12.48 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 46.6 p-90 -145.61 161.83 38.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.015 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.2 p -160.94 138.99 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.006 0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 p -110.84 151.94 27.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HE1' ' HB3' ' A' ' 20' ' ' ALA . 55.1 m-85 -130.42 96.88 4.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -99.25 171.86 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 43' ' ' ILE . 66.4 m-85 -93.48 149.16 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.589 ' HB2' HG21 ' A' ' 44' ' ' VAL . 4.6 t0 -119.44 14.3 12.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.84 74.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.81 23.35 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -159.7 125.26 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 38' ' ' TYR . 20.3 mt -68.11 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 39' ' ' ASP . 34.2 m -155.75 141.39 12.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.142 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_exo -52.05 113.47 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.32 -108.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -84.13 171.39 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.58 ' HG3' HG23 ' A' ' 34' ' ' VAL . 1.4 tt0 -172.26 139.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -179.14 -177.24 47.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 4.23 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.9 t70 -107.97 100.29 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.722 ' CE2' HG11 ' A' ' 69' ' ' VAL . 5.1 t80 -51.33 -29.45 15.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -67.96 -31.99 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -68.89 -36.05 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.02 -40.2 90.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.58 -18.4 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -80.47 -1.67 42.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -106.6 -33.31 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 56.0 m -76.22 113.7 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.452 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.1 p -131.9 178.18 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 16.9 m-20 -78.61 5.76 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -121.59 19.92 11.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG22 HD12 ' A' ' 65' ' ' LEU . 13.2 p -157.99 155.86 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.573 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -147.83 133.31 18.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.786 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.94 172.98 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.628 ' CD1' HG21 ' A' ' 108' ' ' VAL . 8.4 m-85 -88.24 158.78 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.44 107.57 4.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 58.1 t80 -94.67 108.18 20.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.722 HG11 ' CE2' ' A' ' 52' ' ' TYR . 46.6 t -113.03 144.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -94.25 119.46 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 69' ' ' VAL . 16.2 m-85 -113.42 117.68 32.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.17 100.92 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 t -127.36 113.11 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.98 95.1 0.13 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.95 -45.04 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.05 175.24 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ptp -52.63 -33.31 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 m -69.64 135.54 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -127.3 119.36 26.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -165.81 119.97 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -62.35 155.71 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG3' ' HB2' ' A' ' 116' ' ' ALA . 5.1 tppt? -110.57 -26.4 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 18.6 m-85 66.15 -174.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.484 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -178.56 131.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 108' ' ' VAL . 8.7 tp -88.93 86.53 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 121' ' ' ILE . 17.8 mt -72.47 105.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' PHE . 54.2 m -86.71 100.06 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CE3' HD21 ' A' ' 127' ' ' LEU . 57.9 t-105 -81.83 141.2 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 65.3 mt -147.19 99.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.91 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.83 131.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -75.08 5.06 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 9.0 t0 -117.08 -23.9 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.2 144.25 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLY . 9.1 t -68.26 144.37 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -33.06 -59.75 0.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.451 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD23 ' HG2' ' A' ' 100' ' ' LYS . 1.5 tt -33.74 -62.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -47.25 -46.96 24.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -67.57 -31.8 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.93 -16.51 56.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.14 -33.85 11.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -63.61 -34.81 78.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 105' ' ' LYS . . . -76.08 -38.47 34.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -69.86 -29.02 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.564 ' HA ' HD13 ' A' ' 107' ' ' LEU . 51.7 m-20 -87.38 5.77 37.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -74.46 -32.99 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 8.3 m -59.04 -22.51 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.731 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.2 mp -78.57 -49.58 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 66' ' ' PHE . 25.0 t -60.55 -33.52 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -64.79 -36.24 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 106' ' ' THR . 40.3 mm-40 -46.71 -41.91 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 18' ' ' ARG . 73.6 t -87.02 -37.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 21' ' ' TYR . 71.3 t -99.14 98.03 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -124.0 -32.45 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 115' ' ' PHE . 10.5 t-20 -66.73 -27.05 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.89 -171.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.563 ' HB2' ' HG3' ' A' ' 82' ' ' LYS . . . -94.17 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 31.3 tttt -161.82 163.89 29.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 2.7 pt-20 -85.14 129.16 34.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -104.65 99.97 9.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.696 ' O ' HG13 ' A' ' 120' ' ' VAL . 12.3 p -79.07 101.18 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 86' ' ' ILE . 6.0 mt -118.57 141.42 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.495 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 2.2 m -119.7 -16.01 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.51 124.06 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 127' ' ' LEU . 21.2 mtm180 -51.33 -35.79 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -16.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.502 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 12.0 mt-10 -102.69 -19.28 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 121' ' ' ILE . 4.3 mm? -64.88 -15.42 61.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -50.09 104.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.458 ' HG2' ' CD ' ' A' ' 133' ' ' ARG . 31.9 tt0 -39.4 -34.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.47 -45.45 73.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.52 -37.2 77.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.438 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 35.7 mm -58.73 -47.04 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.458 ' CD ' ' HG2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -52.0 -60.69 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.803 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -38.5 -38.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.75 -58.19 5.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 71' ' ' PHE . 55.4 mt -57.16 -40.24 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -43.52 -41.77 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -102.3 -23.5 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 138' ' ' LYS . . . 42.65 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 87.34 156.25 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.423 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . 179.31 -101.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 141' ' ' GLY . . . 67.64 46.3 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -86.31 -44.22 12.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 62.6 45.37 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.13 -42.74 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -50.13 104.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -137.6 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.0 p -142.04 145.57 34.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m 59.73 44.43 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -82.14 -59.55 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.67 88.92 1.83 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.12 -56.72 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.7 115.48 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.458 ' O ' ' CG ' ' A' ' 8' ' ' MET . 5.8 t -104.33 138.29 40.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 7' ' ' THR . 9.1 mtp -165.83 142.0 5.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.12 -169.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 ' CB ' ' OD1' ' A' ' 104' ' ' ASP . 82.5 m -129.61 142.53 50.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.42 171.45 8.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 11.7 tt -132.53 156.81 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.0 t0 -91.61 44.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 13' ' ' ASP . 26.5 mtmt -22.37 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.8 mt-10 -55.55 -59.36 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.33 -37.78 83.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 47.9 m -59.11 -51.32 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttp180 -50.07 -36.41 29.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.65 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -66.79 -42.18 86.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 112' ' ' VAL . 3.5 t80 -67.87 -22.76 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 18' ' ' ARG . 81.6 m-20 -88.26 -48.91 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD13 ' NE2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -46.14 -21.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.6 p -102.95 -39.08 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.09 176.02 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -109.49 -30.32 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.72 -17.36 71.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 31' ' ' VAL . 3.1 m -99.81 103.39 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -43.18 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG21 HD22 ' A' ' 23' ' ' LEU . 85.7 t -54.17 129.57 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 pt -119.98 -18.32 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.2 p-90 -136.7 148.74 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -149.67 126.86 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p -97.47 155.54 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' HE2' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-85 -135.12 97.78 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -98.34 -179.83 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CE2' HG12 ' A' ' 43' ' ' ILE . 70.1 m-85 -103.77 149.48 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -122.93 14.66 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 125.32 70.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 70.0 24.16 5.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.5 m -154.58 122.6 5.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' CE2' ' A' ' 38' ' ' TYR . 25.3 mt -74.17 134.87 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 13' ' ' ASP . 27.3 m -148.1 143.29 17.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 111.065 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HG2' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_exo -51.98 116.33 2.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.49 -110.98 0.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.48 174.08 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.632 ' HG3' HG12 ' A' ' 34' ' ' VAL . 11.4 tt0 -170.35 141.92 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.64 176.12 39.22 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -99.34 -17.73 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.95 106.11 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.821 ' HE2' HG11 ' A' ' 69' ' ' VAL . 3.4 t80 -54.91 -26.66 37.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -69.53 -21.02 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -80.3 -27.26 38.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.02 -43.67 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.02 -17.58 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -84.92 2.23 43.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.69 -30.64 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 58.2 m -78.5 114.58 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.593 ' OG1' HG12 ' A' ' 63' ' ' VAL . 24.8 p -130.21 172.23 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 2.8 p30 -75.35 2.85 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.11 18.64 12.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.609 HG22 HD12 ' A' ' 65' ' ' LEU . 8.6 p -156.01 151.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.513 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.34 133.74 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.754 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -170.76 170.02 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CD1' HG21 ' A' ' 108' ' ' VAL . 10.7 m-85 -84.22 156.38 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -143.38 100.1 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CD1' HG11 ' A' ' 24' ' ' VAL . 7.5 t80 -87.26 117.46 26.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.821 HG11 ' HE2' ' A' ' 52' ' ' TYR . 65.2 t -123.92 142.68 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -92.6 131.5 37.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 15.3 m-85 -124.72 109.47 13.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.21 100.22 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 82' ' ' LYS . 8.0 t -120.0 -30.56 4.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.94 -64.59 1.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 54.38 39.84 31.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.03 176.66 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.9 mtp -59.85 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.35 -66.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -71.14 111.65 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.904 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -98.93 -70.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -148.44 159.51 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 73' ' ' THR . 33.4 mttm -123.43 -178.05 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-85 -153.77 178.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -170.66 131.56 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.523 HD21 ' CG1' ' A' ' 108' ' ' VAL . 12.2 tp -86.73 93.12 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.582 HG23 HD12 ' A' ' 121' ' ' ILE . 11.2 mt -72.99 100.11 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' PHE . 30.5 m -81.16 100.11 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 59.9 t-105 -84.18 141.0 31.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.49 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 69.1 mt -148.15 99.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.862 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -35.26 127.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.462 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 7.4 pm0 -68.99 -2.28 9.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 8.9 t70 -107.85 -25.71 11.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 90' ' ' GLY . 15.6 m -50.53 147.75 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 4.1 m -62.56 130.79 46.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.22 -48.44 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -38.04 -65.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -45.45 -42.88 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -30.2 70.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.49 -19.31 56.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' THR . 22.0 mmmt -98.05 -58.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' LYS . 44.0 m -36.15 -40.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.3 -37.61 63.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 100' ' ' LYS . 51.9 m -71.61 -36.79 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.751 0.31 . . . . 0.0 111.121 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 10' ' ' THR . 8.5 m-20 -74.41 -4.79 38.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -60.97 -37.2 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 m -53.7 -25.0 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.1 mt -77.71 -49.92 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 66' ' ' PHE . 63.7 t -63.52 -29.95 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -67.52 -40.6 85.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' LYS . 2.2 mm-40 -38.27 -40.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 18' ' ' ARG . 60.6 t -87.29 -28.88 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 109' ' ' LYS . 74.5 t -102.08 99.63 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -123.13 -36.8 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 115' ' ' PHE . 2.4 m120 -63.29 -29.14 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.637 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.44 -171.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -99.79 -66.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 22.9 tttt -161.35 163.22 30.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.4 pt-20 -83.37 135.1 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.0 m-85 -109.35 100.01 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.77 100.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 16.4 mt -114.25 142.31 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.432 ' C ' ' CZ3' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -118.51 -17.22 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.95 125.53 52.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -51.68 -36.68 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -51.88 -16.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.505 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 13.9 mt-10 -103.38 -18.09 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.3 mm? -67.11 -13.75 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.08 105.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 31.4 tt0 -39.63 -33.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -57.41 -44.65 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -67.17 -37.1 83.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.414 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 29.6 mm -59.32 -50.26 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.484 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.3 OUTLIER -50.16 -58.7 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -39.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -66.72 -59.81 3.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 94.8 mt -52.26 -37.24 54.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -53.22 -40.71 64.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -114.41 16.61 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -33.25 -55.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 100.29 -132.96 11.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.554 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 68.91 -122.05 12.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -112.83 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -165.72 123.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -55.57 117.38 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -137.16 135.13 37.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -113.24 101.95 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -104.91 172.37 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.2 p -142.36 132.48 24.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 50.61 42.04 26.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.29 -58.54 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.5 -68.04 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 165.26 21.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.35 119.7 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.5 p -115.72 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 tpt -102.61 140.9 36.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.95 168.42 10.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.41 HG21 ' CG ' ' A' ' 104' ' ' ASP . 14.7 m -159.63 144.21 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -136.5 179.97 6.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 108' ' ' VAL . 16.1 tt -142.72 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.744 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.1 m-20 -85.17 43.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 13' ' ' ASP . 31.8 mtpt -23.19 -46.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.5 mt-10 -56.86 -60.26 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -66.85 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.1 m -63.7 -53.67 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 12.0 tpp180 -46.25 -39.09 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.78 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -62.39 -50.39 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.42 -42.07 98.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -67.0 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' HG3' ' A' ' 18' ' ' ARG . 69.9 m-20 -92.47 -45.04 8.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.786 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 19' ' ' ALA . 4.3 mm? -50.9 -16.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.4 p -109.68 -38.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.3 ttt-85 -67.01 -32.61 73.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.55 171.65 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -115.63 18.05 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.23 -0.19 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.7 m -107.09 104.85 14.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -35.82 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' SER . 77.8 t -54.53 129.96 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.92 -18.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.527 ' CB ' HG22 ' A' ' 69' ' ' VAL . 45.0 p-90 -135.97 145.58 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.668 HG12 ' HG3' ' A' ' 48' ' ' GLN . 18.5 m -145.13 124.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.5 p -96.02 154.12 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.09 95.95 3.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -95.93 174.47 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 43' ' ' ILE . 80.9 m-85 -99.22 145.56 27.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -119.96 14.15 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.97 71.63 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 68.89 23.99 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -153.85 114.15 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 108' ' ' VAL . 20.4 mt -68.78 126.41 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.744 HG12 ' CG ' ' A' ' 13' ' ' ASP . 33.1 m -139.97 149.18 57.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.07 114.32 1.58 Allowed 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.761 2.307 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.21 -102.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.93 166.7 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.668 ' HG3' HG12 ' A' ' 34' ' ' VAL . 16.1 tt0 -160.65 140.23 10.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.12 41.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.21 -25.7 15.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -79.85 105.41 11.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.79 ' HE2' HG11 ' A' ' 69' ' ' VAL . 5.5 t80 -54.77 -27.55 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -66.84 -20.3 65.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -81.72 -26.39 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.589 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -77.57 -41.04 40.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.957 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.83 -17.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -84.12 3.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -110.93 -23.76 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.4 m -84.3 117.32 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.588 ' OG1' HG12 ' A' ' 63' ' ' VAL . 10.8 p -128.42 179.59 5.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 9.4 m-20 -84.06 4.2 31.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.06 18.64 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' OG1' ' A' ' 60' ' ' THR . 11.2 p -151.78 160.61 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.743 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -151.15 139.85 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.875 ' O ' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -175.56 156.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.88 ' CE1' HG21 ' A' ' 108' ' ' VAL . 33.2 m-85 -75.55 161.07 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.93 110.13 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD1' HG11 ' A' ' 24' ' ' VAL . 18.1 t80 -95.02 106.55 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.79 HG11 ' HE2' ' A' ' 52' ' ' TYR . 53.4 t -112.96 143.85 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -90.79 123.87 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.689 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 4.9 m-85 -117.85 132.34 56.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.8 p -88.49 15.47 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.61 ' N ' HH21 ' A' ' 133' ' ' ARG . 9.0 t -45.89 -45.07 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' HG23 ' A' ' 73' ' ' THR . . . 34.45 83.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.531 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.9 t0 -35.93 -42.36 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.79 178.91 4.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 t -43.62 -56.87 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -53.95 112.58 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 80' ' ' ARG . 10.9 ttp180 -98.39 -62.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.5 m -129.23 124.01 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.635 ' CG ' ' HB2' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -106.44 -28.62 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.547 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 20.1 m-85 67.4 -175.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.689 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -177.68 131.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 112' ' ' VAL . 11.0 tp -86.68 90.08 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.741 HG23 HD12 ' A' ' 121' ' ' ILE . 19.2 mt -75.42 102.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.5 m -85.24 99.98 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 58.5 t-105 -77.83 144.28 37.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.548 HG21 ' HG3' ' A' ' 98' ' ' ARG . 67.8 mt -150.18 100.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.53 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.74 -24.55 17.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.92 -9.74 57.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 64' ' ' ARG . 4.1 t -62.32 163.78 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 93' ' ' VAL . 22.8 t -84.68 135.38 34.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.53 -38.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' C ' HD23 ' A' ' 96' ' ' LEU . 1.4 tt -55.0 -68.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' C ' HH12 ' A' ' 64' ' ' ARG . 25.5 mm-40 -48.7 -46.19 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.548 ' HG3' HG21 ' A' ' 89' ' ' ILE . 24.0 ttt180 -60.48 -27.5 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.45 -2.38 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -100.04 -48.54 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -48.97 -33.17 10.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.15 69.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.6 m -77.77 -40.74 39.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.158 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 43' ' ' ILE . 48.3 m-20 -70.06 -9.55 55.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -61.24 -27.78 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.1 m -64.4 -19.21 65.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.1 mt -88.12 -50.47 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.88 HG21 ' CE1' ' A' ' 66' ' ' PHE . 21.3 t -61.97 -34.1 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -66.14 -29.92 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -46.83 -45.46 20.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.72 -41.47 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 115' ' ' PHE . 97.7 t -93.52 97.37 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -124.12 -31.87 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 115' ' ' PHE . 66.8 t30 -71.53 -23.71 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.81 -170.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.635 ' HB2' ' CG ' ' A' ' 82' ' ' LYS . . . -92.53 -68.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 35.2 tttt -162.78 162.1 26.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 pt-20 -83.21 133.95 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 132' ' ' ILE . 3.4 m-30 -108.79 100.0 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.7 100.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.786 HG21 HD22 ' A' ' 127' ' ' LEU . 15.4 mt -116.25 142.26 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.516 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 47.5 t -119.03 -16.21 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -115.72 126.61 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.5 mtm105 -52.19 -37.2 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -53.24 -15.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.5 mt-10 -103.07 -16.33 15.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 121' ' ' ILE . 3.1 mm? -69.66 -12.27 61.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' PHE . 12.0 mt-10 -50.09 103.5 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 4.1 tm-20 -36.64 -40.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.38 -45.64 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' GLU . 36.5 t80 -63.28 -36.16 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.584 HG23 ' CE2' ' A' ' 119' ' ' PHE . 22.4 mm -61.56 -43.71 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.61 HH21 ' N ' ' A' ' 73' ' ' THR . 35.4 mmm-85 -52.4 -59.58 4.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.5 t -40.81 -43.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -66.23 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.714 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 62.2 mt -40.84 -44.39 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.69 -41.9 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.67 19.47 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.714 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -50.35 123.86 9.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.32 63.24 0.59 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -145.84 50.37 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -119.58 177.4 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.57 155.14 45.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.85 120.72 8.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -150.05 112.57 4.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.93 -170.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -96.66 -43.44 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 149' ' ' GLU . 83.2 p -53.39 175.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 148' ' ' SER . 3.5 pt-20 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -77.9 100.0 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 61.85 41.79 11.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.93 104.8 2.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -61.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 164.68 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -124.07 140.04 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -107.96 125.24 51.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 44.57 -169.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.49 HG21 ' CG ' ' A' ' 104' ' ' ASP . 26.0 m -160.59 151.83 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 42' ' ' THR . 5.1 mmmm -134.28 173.43 11.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.0 tt -131.6 147.89 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.675 ' CG ' HG12 ' A' ' 44' ' ' VAL . 1.8 m-20 -80.94 46.72 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 13' ' ' ASP . 8.8 mttp -22.77 -45.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' ASP . 2.3 mt-10 -59.69 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -65.45 -32.63 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 34.6 m -67.57 -58.08 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 21.6 ttm180 -38.62 -41.21 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.787 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -59.86 -53.75 54.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -61.9 -40.7 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.584 ' CD1' HG22 ' A' ' 112' ' ' VAL . 7.5 t80 -66.3 -22.03 66.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 64.7 m-20 -90.31 -48.13 7.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.0 mm? -45.47 -20.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 68' ' ' PHE . 3.1 p -106.3 -38.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.98 -29.11 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.17 137.3 45.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -84.19 19.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.94 1.1 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 4.8 m -111.47 106.07 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' SER . . . -35.49 -34.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' SER . 85.7 t -50.52 129.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -119.72 -18.94 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.642 ' CB ' HG22 ' A' ' 69' ' ' VAL . 49.6 p-90 -135.7 143.88 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.959 HG12 ' HG2' ' A' ' 48' ' ' GLN . 28.6 m -143.39 120.11 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 p -91.35 155.72 18.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' HG23 ' A' ' 34' ' ' VAL . 71.8 m-85 -133.84 99.86 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.12 178.65 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CE1' HG12 ' A' ' 43' ' ' ILE . 98.5 m-85 -95.39 146.44 24.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 14.6 t70 -118.52 16.02 13.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.25 -86.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.77 19.68 12.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 11' ' ' LYS . 30.7 m -158.96 149.55 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.548 HD11 ' HB3' ' A' ' 104' ' ' ASP . 9.9 mt -81.06 137.63 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.675 HG12 ' CG ' ' A' ' 13' ' ' ASP . 10.3 m -147.18 150.71 38.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.1 134.72 50.64 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.46 -80.13 1.5 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.437 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.14 176.12 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.959 ' HG2' HG12 ' A' ' 34' ' ' VAL . 4.9 mt-30 -155.61 161.15 40.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.18 167.09 20.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -94.04 -20.04 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 111.064 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 12.9 m-20 -81.36 102.79 10.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.554 ' CE2' HG11 ' A' ' 69' ' ' VAL . 6.6 t80 -54.19 -28.94 43.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.8 mm-40 -66.39 -34.36 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 8.2 m170 -65.55 -32.53 74.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -66.05 -41.21 91.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.17 -20.94 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.561 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 1.3 mp0 -77.94 0.95 22.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -108.02 -31.21 8.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.3 m -77.76 117.26 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.691 ' OG1' HG12 ' A' ' 63' ' ' VAL . 34.4 p -132.53 169.97 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.92 18.68 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.691 HG12 ' OG1' ' A' ' 60' ' ' THR . 7.6 p -157.63 150.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.496 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -143.71 131.94 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -166.56 171.58 11.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.594 ' CD1' HG21 ' A' ' 108' ' ' VAL . 14.2 m-85 -85.57 156.35 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.522 ' CB ' ' CE1' ' A' ' 55' ' ' PHE . . . -145.36 100.48 3.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 7.4 t80 -88.8 116.67 27.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG22 ' CB ' ' A' ' 33' ' ' TRP . 86.5 t -120.26 148.36 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 53.3 ttt180 -87.5 125.2 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.658 ' CD2' HD11 ' A' ' 136' ' ' LEU . 70.4 m-85 -128.75 100.08 5.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.1 t -83.75 145.12 28.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 82' ' ' LYS . 1.6 t -170.91 126.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 -102.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.59 20.16 11.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.18 176.52 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 84.9 mmm -51.34 114.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.89 -169.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.55 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -163.72 153.64 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 54.3 m -87.67 147.9 25.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 69.9 mttt -114.3 -30.37 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-85 57.32 -173.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.839 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.71 131.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.791 HD21 ' CG1' ' A' ' 108' ' ' VAL . 10.5 tp -84.72 91.79 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 38.5 mt -76.11 103.52 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 87' ' ' THR . 2.9 m -86.87 103.04 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 53.9 t-105 -83.15 143.85 30.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 72.4 mt -149.76 100.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.944 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -34.84 129.91 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -72.66 2.68 6.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.09 -24.05 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 90' ' ' GLY . 34.3 m -50.17 146.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 95' ' ' GLY . 19.9 m -66.03 141.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.48 -50.13 0.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 100' ' ' LYS . 4.4 tt -42.6 -66.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.332 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.452 ' HG2' ' NE ' ' A' ' 64' ' ' ARG . 8.8 mt-30 -40.22 -46.65 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.23 89.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.52 -14.25 62.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.491 ' CG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -97.23 -41.79 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -60.01 -37.1 78.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.84 47.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.9 m -70.48 -32.57 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.548 ' HB3' HD11 ' A' ' 43' ' ' ILE . 44.1 m-20 -84.47 9.81 12.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.47 -33.79 58.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 m -58.19 -22.31 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.722 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.4 mp -78.13 -50.32 12.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.791 ' CG1' HD21 ' A' ' 85' ' ' LEU . 39.4 t -59.67 -33.23 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.48 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -65.38 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -48.46 -54.47 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.523 HG13 HG23 ' A' ' 112' ' ' VAL . 11.0 p -75.32 -29.76 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG22 ' CD1' ' A' ' 21' ' ' TYR . 29.1 t -103.39 99.95 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -121.96 -38.3 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.21 -26.71 66.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -54.32 -172.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -99.07 -65.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 51.4 tttt -160.09 162.1 34.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 0.4 OUTLIER -88.55 124.41 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' THR . 8.0 m-30 -100.29 100.32 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.14 101.01 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 127' ' ' LEU . 17.6 mt -109.92 147.4 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -21.14 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -114.5 127.12 55.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -52.63 -36.7 57.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -51.89 -15.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 9.3 mt-10 -103.06 -19.36 14.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 121' ' ' ILE . 2.9 mm? -65.42 -14.08 60.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' GLU . 9.4 mt-10 -50.02 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 12.7 tt0 -36.13 -36.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.81 -48.66 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' GLU . 29.7 t80 -65.87 -36.16 82.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.576 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 28.9 mm -58.55 -50.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.462 ' NE ' ' HG2' ' A' ' 129' ' ' GLU . 0.5 OUTLIER -52.94 -57.75 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -41.35 -40.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.18 -59.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.839 HD21 ' HB2' ' A' ' 84' ' ' ALA . 88.5 mt -48.38 -39.04 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -57.48 -37.72 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.41 19.91 17.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -49.87 154.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.56 145.26 49.81 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.33 76.17 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.89 156.66 44.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.781 0.324 . . . . 0.0 111.065 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -73.73 153.51 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -127.22 171.39 11.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -80.66 -43.91 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.79 108.59 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -116.41 -39.77 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 57.4 m -135.95 130.19 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p 50.76 31.46 5.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.68 -44.65 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.59 172.41 13.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.82 131.04 11.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.72 107.91 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.2 m -82.49 -47.5 12.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 tpt -45.05 -52.55 8.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.84 155.48 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 11' ' ' LYS . 32.8 m -123.58 155.41 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 10' ' ' THR . 22.5 mmmt -125.81 178.55 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 15.3 tt -150.04 149.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -92.68 46.79 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 13' ' ' ASP . 25.5 mtmt -21.1 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.4 pt-20 -52.25 -59.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.47 -34.83 78.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.9 m -60.81 -62.51 1.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HA ' HG11 ' A' ' 111' ' ' VAL . 44.6 ttp180 -41.68 -40.78 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.751 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -58.84 -51.24 70.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' HG11 ' A' ' 34' ' ' VAL . . . -63.81 -44.9 91.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CD1' ' HB ' ' A' ' 112' ' ' VAL . 1.4 t80 -64.44 -16.29 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 68.7 m-20 -94.35 -41.64 9.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.5 mm? -53.15 -14.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.2 p -110.64 -38.1 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -29.56 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.55 153.81 40.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.81 -69.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.99 76.47 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.517 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.743 ' OG ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.47 20.02 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 70.16 25.83 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.6 t -153.32 132.96 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 9.9 pt -117.45 -11.48 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.548 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 37.4 p-90 -144.48 141.66 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.996 HG12 ' HG2' ' A' ' 48' ' ' GLN . 29.7 m -142.29 130.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.228 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.4 p -99.63 154.3 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -128.67 94.02 3.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -99.02 177.33 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -97.3 141.7 30.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.625 ' HB2' HG21 ' A' ' 44' ' ' VAL . 8.8 t0 -119.67 14.64 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 135.42 65.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.79 11.95 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -140.97 130.14 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 108' ' ' VAL . 42.4 mt -67.96 140.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 39' ' ' ASP . 13.7 m -155.81 145.54 15.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.68 0.752 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 53.5 Cg_exo -51.98 108.62 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -67.59 -100.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 174.92 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.996 ' HG2' HG12 ' A' ' 34' ' ' VAL . 6.4 mt-30 -154.61 163.91 39.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.98 161.1 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . . . -87.51 -19.87 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 16.3 t0 -80.46 100.25 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE2' HG11 ' A' ' 69' ' ' VAL . 8.6 t80 -53.51 -27.74 27.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 7.7 mm-40 -67.26 -34.26 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 7.4 m170 -65.96 -33.73 76.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.625 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.41 -41.33 93.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.76 -20.21 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 2.1 mp0 -80.3 5.83 13.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -115.95 -30.61 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 37.3 m -79.09 104.88 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.474 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 31.0 p -119.39 177.62 4.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -78.92 4.48 14.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -120.28 20.56 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.618 HG22 HD12 ' A' ' 65' ' ' LEU . 14.9 p -156.85 154.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -145.74 133.93 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -172.67 165.57 5.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.651 ' CE1' HG21 ' A' ' 108' ' ' VAL . 29.2 m-85 -79.55 157.44 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -145.88 100.09 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.598 ' CD1' HG11 ' A' ' 24' ' ' VAL . 13.4 t80 -90.75 118.0 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.855 HG11 ' CE2' ' A' ' 52' ' ' TYR . 21.9 t -124.05 141.62 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 38.9 ttt-85 -94.91 117.82 30.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 5.3 m-85 -107.5 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.4 p -125.42 121.3 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 p -118.95 -34.34 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.6 76.88 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.529 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -119.63 15.95 12.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.82 -68.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.0 mtp -100.07 -73.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.0 p -104.93 152.23 22.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.791 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -78.67 105.12 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.61 117.62 23.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -97.39 144.15 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.489 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -116.92 175.31 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 82' ' ' LYS . 4.9 m-85 -154.03 171.0 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.783 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -171.3 125.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' GLU . 13.2 tp -78.54 93.06 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.558 HG23 HD12 ' A' ' 121' ' ' ILE . 21.1 mt -73.05 100.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' PHE . 64.0 m -81.84 101.69 10.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 62.7 t-105 -86.16 138.58 31.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.982 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 59.9 mt -147.08 97.88 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.191 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.958 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -32.01 120.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.14 -4.31 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.345 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.26 -15.36 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 90' ' ' GLY . 26.2 m -54.42 153.78 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 95' ' ' GLY . 6.7 t -70.13 135.49 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -34.01 -54.75 0.7 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 95' ' ' GLY . 0.4 OUTLIER -37.62 -60.74 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 5.1 mt-30 -44.55 -49.2 10.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -66.36 -33.16 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.86 63.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -34.5 10.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.445 ' O ' ' OD1' ' A' ' 104' ' ' ASP . 45.0 m -74.56 -24.9 59.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.19 -16.52 78.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.0 m -104.91 -31.57 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 101' ' ' THR . 1.2 p-10 -67.43 -16.06 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 15.4 ttmt -54.14 -31.63 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 21.6 m -64.45 -17.14 63.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.6 -44.97 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.76 HG23 HD13 ' A' ' 43' ' ' ILE . 65.2 t -66.94 -37.9 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 109' ' ' LYS . 2.4 ttpm? -62.76 -34.09 76.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.466 ' CD ' ' O ' ' A' ' 106' ' ' THR . 3.2 mm-40 -43.47 -47.28 7.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 18' ' ' ARG . 71.0 t -72.33 -49.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.223 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 21' ' ' TYR . 1.1 p -97.24 101.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -28.24 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.88 -25.54 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -53.8 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -94.15 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 2.6 ttmt -162.38 165.1 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.521 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 1.2 pm0 -92.44 128.11 38.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 m-30 -101.56 108.66 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.0 t -85.07 100.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.769 HG21 HD22 ' A' ' 127' ' ' LEU . 28.6 mt -111.38 144.93 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.48 ' O ' ' CH2' ' A' ' 88' ' ' TRP . 3.2 p -119.95 -19.2 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -116.01 126.06 53.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -50.85 -36.74 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -49.96 -18.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 10.9 mt-10 -102.5 -19.52 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 121' ' ' ILE . 3.2 mm? -66.21 -15.8 63.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 130' ' ' ASP . 6.1 mt-10 -49.95 104.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . 16.7 tt0 -36.03 -33.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' GLU . 44.1 m-20 -56.71 -48.85 76.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 126' ' ' GLU . 52.4 t80 -66.45 -36.06 81.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.567 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 37.8 mm -54.01 -49.49 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.56 -53.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.7 t -45.08 -40.4 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.47 ' HB2' ' CE2' ' A' ' 119' ' ' PHE . 9.3 mm-40 -63.4 -59.02 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 84' ' ' ALA . 80.9 mt -46.53 -35.76 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -48.18 -38.09 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 139' ' ' ALA . 2.7 pttm -111.91 14.75 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 138' ' ' LYS . . . -33.13 -57.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' GLY . . . 97.62 178.98 33.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.502 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' GLY . . . 37.79 -110.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . 54.39 39.13 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -159.01 136.87 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -166.09 104.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.7 t0 51.48 -170.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.12 166.23 10.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -94.09 102.99 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 89.3 p -79.68 -43.05 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 p 41.57 27.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.31 167.09 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -94.73 -53.27 1.69 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 69.34 -170.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.26 161.57 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -95.01 19.98 9.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.0 tpp -82.67 -51.08 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.67 171.89 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.555 HG21 ' CG ' ' A' ' 104' ' ' ASP . 30.6 m -140.54 151.81 45.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.176 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.741 ' C ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -128.41 167.23 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.895 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 107' ' ' LEU . 11.7 tt -135.22 146.24 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -81.77 45.4 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.6 mtpp -23.86 -45.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.1 mt-10 -57.59 -59.59 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . . . -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.3 -54.2 36.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 36.1 ttp180 -45.69 -36.66 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -61.41 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . . . -63.14 -47.12 84.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' CD1' HG22 ' A' ' 112' ' ' VAL . 5.1 t80 -60.73 -19.72 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' ND2' ' HG2' ' A' ' 18' ' ' ARG . 68.3 m-20 -91.77 -44.54 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 19' ' ' ALA . 3.9 mm? -49.07 -18.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 68' ' ' PHE . 2.4 p -108.95 -34.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.07 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.89 171.33 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -114.51 19.72 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.95 -0.18 4.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' OG ' HD13 ' A' ' 23' ' ' LEU . 2.8 m -106.51 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 110.809 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.688 ' O ' ' HB2' ' A' ' 50' ' ' ALA . . . -46.72 -19.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 69.5 t -60.79 127.58 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -119.96 -12.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 55' ' ' PHE . 45.7 p-90 -142.76 140.93 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.01 HG12 ' HG3' ' A' ' 48' ' ' GLN . 27.1 m -142.64 128.99 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -98.79 154.7 17.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 72.3 m-85 -132.95 97.35 4.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -98.15 172.89 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.527 ' CE2' HG12 ' A' ' 43' ' ' ILE . 75.5 m-85 -94.07 141.77 28.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 44' ' ' VAL . 35.4 t0 -109.82 13.37 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.94 11.99 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.741 HG23 ' C ' ' A' ' 11' ' ' LYS . 6.0 m -152.22 142.51 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG12 ' CE2' ' A' ' 38' ' ' TYR . 18.8 mt -70.82 146.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 39' ' ' ASP . 16.8 m -154.4 143.33 14.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 44' ' ' VAL . 53.9 Cg_exo -52.04 123.05 11.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.15 -96.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD2' ' CD ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -92.92 179.79 5.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.702 0.287 . . . . 0.0 110.866 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 1.01 ' HG3' HG12 ' A' ' 34' ' ' VAL . 9.5 tt0 -169.51 136.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.88 172.36 40.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 30' ' ' ALA . . . -95.78 -25.04 16.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.76 0.314 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.87 105.68 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.77 ' HE2' HG11 ' A' ' 69' ' ' VAL . 7.2 t80 -53.97 -28.85 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.22 -20.62 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -82.24 -26.45 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -77.93 -43.94 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.23 -17.82 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -84.93 2.6 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CD ' ' OD2' ' A' ' 47' ' ' ASP . 10.9 mm-40 -108.5 -33.48 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 59.5 m -76.53 115.57 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.487 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 14.4 p -132.96 174.45 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' HA ' ' CA ' ' A' ' 90' ' ' GLY . 0.7 OUTLIER -75.43 5.11 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -121.07 19.46 11.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 65' ' ' LEU . 11.6 p -157.82 151.74 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -144.93 124.1 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.878 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -160.66 171.53 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 108' ' ' VAL . 6.3 m-85 -89.38 163.49 15.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 86' ' ' ILE . . . -150.45 111.61 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' CE1' ' CD1' ' A' ' 83' ' ' PHE . 18.5 t80 -92.44 104.41 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.77 HG11 ' HE2' ' A' ' 52' ' ' TYR . 44.2 t -108.74 142.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 17.7 ttt180 -94.22 119.08 32.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CZ ' HG21 ' A' ' 132' ' ' ILE . 3.2 m-85 -112.33 137.07 51.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.445 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 0.7 OUTLIER -126.53 105.22 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.736 HG22 ' NZ ' ' A' ' 82' ' ' LYS . 1.4 t -123.27 144.23 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -161.73 119.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.01 -55.8 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.71 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.1 tpp 50.0 42.08 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.1 t -151.5 107.69 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 101.16 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 81' ' ' SER . 32.1 ttt180 -154.33 150.0 27.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 25.2 p -81.19 130.13 34.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.736 ' NZ ' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER -109.92 -40.38 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 81' ' ' SER . 28.4 m-85 66.88 -177.31 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -179.88 134.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.583 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.7 tp -85.91 94.51 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.779 HG23 HD12 ' A' ' 121' ' ' ILE . 19.9 mt -78.13 102.74 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' THR . 2.9 m -86.87 99.94 12.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.545 ' CE2' ' HB3' ' A' ' 59' ' ' CYS . 60.4 t-105 -82.88 144.07 30.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.958 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 64' ' ' ARG . 86.0 mt -151.19 99.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.833 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -33.83 133.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.32 8.45 4.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -114.45 -27.56 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 90' ' ' GLY . 35.8 m -51.2 145.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' GLY . 42.3 t -67.25 145.99 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -36.13 -50.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 99' ' ' ALA . 5.1 tt -43.29 -66.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -40.82 -46.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG21 ' A' ' 89' ' ' ILE . 18.8 ttm-85 -69.85 -33.69 72.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -73.03 -16.53 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -36.1 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 m -59.37 -38.67 81.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -71.02 -35.53 64.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.0 m -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.555 ' CG ' HG21 ' A' ' 10' ' ' THR . 42.8 m-20 -85.78 7.98 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -77.2 -32.93 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.6 m -58.37 -22.66 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.714 ' N ' HD12 ' A' ' 107' ' ' LEU . 2.6 mp -77.37 -49.84 14.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 66' ' ' PHE . 39.1 t -60.19 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -63.6 -35.88 81.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.15 -46.1 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 18' ' ' ARG . 90.5 t -82.73 -34.0 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 115' ' ' PHE . 69.6 t -97.9 99.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -124.86 -36.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -65.87 -22.71 66.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -56.75 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.54 -65.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.56 ' C ' ' CE2' ' A' ' 115' ' ' PHE . 24.7 tttp -160.88 162.63 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 117' ' ' LYS . 1.7 pm0 -87.56 124.09 33.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 132' ' ' ILE . 6.3 m-30 -99.23 106.59 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.3 101.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 86' ' ' ILE . 11.7 mt -112.5 144.24 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -19.92 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -114.46 128.83 56.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -53.29 -38.38 63.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -51.52 -16.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 14.3 mt-10 -101.78 -19.42 15.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -66.54 -13.47 61.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 129' ' ' GLU . 8.6 mt-10 -50.97 101.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 37.4 tt0 -34.06 -41.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -50.94 -49.0 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 128' ' ' GLU . 37.3 t80 -62.54 -35.52 79.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.647 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 26.2 mm -61.2 -44.54 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 72' ' ' THR . 37.0 mmm-85 -52.15 -58.39 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.5 t -41.12 -41.97 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 138' ' ' LYS . 25.9 mm-40 -61.42 -53.19 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 71' ' ' PHE . 59.6 mt -63.05 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -50.06 -41.94 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 135' ' ' GLU . 2.7 ptpp? -95.98 -42.26 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 55.22 49.97 16.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -40.65 138.12 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.63 108.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -123.89 133.31 53.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.32 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -50.03 109.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 144' ' ' TYR . 0.3 OUTLIER -150.33 135.66 17.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -112.6 148.17 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -154.23 148.17 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -129.26 130.13 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 55.1 p -39.32 -50.67 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -53.31 -48.83 68.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -147.21 173.11 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.64 -176.97 46.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.3 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.84 96.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -105.9 148.01 28.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -95.98 -29.74 13.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 8' ' ' MET . . . -57.1 175.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -128.13 142.52 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.099 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -113.73 175.5 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tt -143.87 143.24 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.568 ' O ' ' C ' ' A' ' 14' ' ' LYS . 2.0 m-20 -82.33 46.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 13' ' ' ASP . 10.0 mtpt -22.82 -50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.1 pt-20 -52.22 -59.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -67.8 -34.31 76.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 31.2 m -61.32 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -43.28 -38.9 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.02 -53.29 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.92 93.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CD1' HG22 ' A' ' 112' ' ' VAL . 2.2 t80 -61.14 -21.32 63.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -86.72 -47.59 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.568 HD13 ' OG ' ' A' ' 29' ' ' SER . 3.6 mm? -49.49 -18.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.52 ' CG2' HG13 ' A' ' 34' ' ' VAL . 6.7 t -107.34 -38.07 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -65.92 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -56.7 156.18 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.65 -52.68 3.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.57 72.48 0.16 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.568 ' OG ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -82.68 22.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 71.18 25.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG11 ' CG ' ' A' ' 48' ' ' GLN . 3.5 t -148.06 134.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.45 -18.09 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CD2' ' HB2' ' A' ' 55' ' ' PHE . 47.5 p-90 -137.66 143.26 41.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.92 HG12 ' HG3' ' A' ' 48' ' ' GLN . 14.4 m -144.04 129.38 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 p -100.95 152.57 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 91.5 m-85 -131.27 97.44 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -97.67 178.25 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.523 ' CE1' HG12 ' A' ' 43' ' ' ILE . 92.3 m-85 -99.35 145.57 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -119.8 14.24 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 123.8 71.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.21 27.22 5.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.5 m -159.54 121.17 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.523 HG12 ' CE1' ' A' ' 38' ' ' TYR . 39.5 mt -70.54 132.27 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG12 ' CG ' ' A' ' 13' ' ' ASP . 15.8 m -147.02 143.88 18.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.176 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.06 119.66 6.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.52 -100.14 0.87 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.19 170.5 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.92 ' HG3' HG12 ' A' ' 34' ' ' VAL . 15.4 tt0 -163.62 136.47 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.68 169.31 37.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.03 22.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 5.7 t0 -85.37 106.07 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.92 -29.33 56.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -68.19 -20.69 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -81.89 -25.88 34.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -77.41 -42.61 35.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 56' ' ' ILE . 92.5 mt -67.39 -16.72 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -86.31 3.06 44.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -109.13 -30.15 8.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 88' ' ' TRP . 42.1 m -82.53 114.71 21.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.506 ' H ' ' CG1' ' A' ' 63' ' ' VAL . 18.5 p -124.15 176.88 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 91' ' ' GLU . 2.8 t0 -80.78 12.41 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.49 19.91 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 65' ' ' LEU . 14.3 p -152.48 159.14 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.494 ' N ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -149.99 130.53 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.26 165.11 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -83.12 156.35 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.51 104.77 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 83' ' ' PHE . 60.4 t80 -90.37 110.49 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 33' ' ' TRP . 43.2 t -115.19 147.28 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 52.0 ttt180 -86.29 137.08 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CG ' ' CD1' ' A' ' 136' ' ' LEU . 90.9 m-85 -138.21 100.2 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -64.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 71' ' ' PHE . 17.5 p 53.55 14.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.19 73.31 0.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.558 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -96.62 -57.4 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.01 -40.03 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.55 -70.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -179.83 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -134.31 151.76 51.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 63.53 -170.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -105.32 164.51 11.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 7.5 mmmt -119.67 -33.14 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 40.9 m-85 67.39 -175.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.542 ' HB2' HD21 ' A' ' 136' ' ' LEU . . . -179.22 130.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD21 ' CG1' ' A' ' 108' ' ' VAL . 9.6 tp -87.52 91.75 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.831 HG23 HD12 ' A' ' 121' ' ' ILE . 18.5 mt -75.49 104.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 87' ' ' THR . 3.1 m -87.36 100.03 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.475 ' CE3' HD21 ' A' ' 127' ' ' LEU . 63.4 t-105 -83.29 142.8 30.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.569 HG21 ' HG3' ' A' ' 98' ' ' ARG . 58.8 mt -151.35 99.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.818 ' O ' HG22 ' A' ' 93' ' ' VAL . . . -37.03 129.9 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 13.7 mt-10 -72.49 5.71 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 2.3 t70 -115.75 -23.1 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 90' ' ' GLY . 25.8 m -50.32 149.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 p -56.87 136.05 55.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -38.64 -56.17 2.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.644 HD13 ' HG2' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -42.8 -56.28 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.953 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -44.5 -48.65 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG3' HG21 ' A' ' 89' ' ' ILE . 10.0 ttt180 -65.2 -35.37 80.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.76 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.644 ' HG2' HD13 ' A' ' 96' ' ' LEU . 10.0 mmmm -98.34 -51.89 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.503 HG21 HG12 ' A' ' 89' ' ' ILE . 87.3 m -40.78 -41.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.192 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.74 86.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.1 m -69.79 -36.41 75.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.114 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 1.5 m-20 -67.59 -4.88 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.74 -35.68 81.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.2 m -52.31 -25.13 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.599 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -82.28 -52.03 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.728 ' CG1' HD21 ' A' ' 85' ' ' LEU . 86.9 t -59.05 -32.53 48.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -66.05 -35.58 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -45.89 -38.81 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.12 -42.65 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.505 HG22 ' CD1' ' A' ' 21' ' ' TYR . 84.0 t -94.74 98.51 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -123.74 -30.84 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' PHE . 22.9 t30 -69.57 -26.11 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.86 -171.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.585 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . . . -95.71 -67.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 17.8 tttt -161.26 161.05 30.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.791 ' OE1' HG23 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -84.81 127.44 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.438 ' CD2' HG23 ' A' ' 132' ' ' ILE . 5.5 m-30 -101.12 102.61 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.791 HG23 ' OE1' ' A' ' 118' ' ' GLU . 96.2 t -80.36 101.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.831 HD12 HG23 ' A' ' 86' ' ' ILE . 8.4 mt -114.78 140.97 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.94 -17.09 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -116.68 127.52 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 124' ' ' ARG . 36.1 mtm105 -52.16 -37.23 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -51.71 -17.19 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.496 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 11.9 mt-10 -101.55 -18.66 15.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.805 HD22 HG21 ' A' ' 121' ' ' ILE . 2.6 mm? -65.86 -16.31 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 125' ' ' LYS . 4.8 mt-10 -50.06 104.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.495 ' HG2' ' N ' ' A' ' 130' ' ' ASP . 3.1 pt-20 -38.64 -36.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.495 ' N ' ' HG2' ' A' ' 129' ' ' GLU . 6.6 m-20 -53.46 -46.05 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -67.47 -37.85 83.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.475 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 30.5 mm -55.96 -48.4 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -60.38 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.9 t -38.96 -40.12 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.46 -58.16 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 84' ' ' ALA . 51.8 mt -54.03 -45.78 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -47.81 -42.14 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -109.4 19.74 19.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -37.65 -49.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -108.44 116.05 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 142' ' ' ALA . . . 140.94 -53.77 0.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.525 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 141' ' ' GLY . . . 67.3 -169.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.309 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -72.46 107.41 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -179.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -100.37 175.52 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.49 108.96 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -54.53 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.7 p -63.43 172.01 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -87.58 -42.65 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 61.29 -170.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.89 144.73 40.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -38.43 -57.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.0 140.7 29.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.7 p -100.11 108.38 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.67 -58.74 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.85 142.87 54.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.681 HG21 ' CG ' ' A' ' 104' ' ' ASP . 20.0 m -123.02 146.01 48.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.199 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -127.68 161.53 28.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 10.8 tt -126.95 150.68 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 14' ' ' LYS . 1.2 m-20 -87.51 45.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttm -22.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . 5.6 pt-20 -52.46 -57.6 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -69.34 -33.31 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' ' CG1' ' A' ' 12' ' ' ILE . 28.0 m -62.61 -62.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' HG11 ' A' ' 111' ' ' VAL . 29.4 ttm180 -40.9 -42.67 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.91 -52.45 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.972 ' HB1' HG21 ' A' ' 34' ' ' VAL . . . -62.47 -46.92 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.901 ' CD1' HG22 ' A' ' 112' ' ' VAL . 1.6 t80 -60.59 -20.98 62.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -85.64 -43.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 29' ' ' SER . 2.7 mm? -52.93 -15.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.684 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.4 p -110.75 -24.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' TYR . 4.2 ptt180 -82.17 -28.56 32.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.01 155.39 40.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.32 100.09 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.24 54.07 18.68 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -87.54 20.03 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.802 -179.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' SER . . . 69.94 16.43 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG11 ' HG2' ' A' ' 48' ' ' GLN . 59.0 t -153.63 139.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 pt -119.19 -19.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.666 ' HB2' HG22 ' A' ' 69' ' ' VAL . 40.5 p-90 -137.89 154.25 49.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 ' HB1' ' A' ' 20' ' ' ALA . 9.3 p -152.53 137.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLY . 7.3 p -107.75 148.46 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' A' ' 20' ' ' ALA . 66.0 m-85 -127.99 96.88 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -98.51 174.49 6.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CE1' HG12 ' A' ' 43' ' ' ILE . 76.2 m-85 -94.47 146.85 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -119.76 16.85 12.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . 120.65 72.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . 69.98 24.74 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 m -158.12 124.06 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 104' ' ' ASP . 21.8 mt -71.78 137.71 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 13' ' ' ASP . 23.0 m -152.62 143.86 16.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 111.19 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.06 109.63 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' THR . . . -75.2 -99.12 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' CG ' ' OE1' ' A' ' 58' ' ' GLN . 2.4 m-20 -91.22 174.2 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.699 0.285 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HG2' HG11 ' A' ' 31' ' ' VAL . 20.2 tt0 -168.61 136.68 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.29 171.86 44.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.72 -14.57 21.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' O ' ' NE1' ' A' ' 33' ' ' TRP . 3.0 m-20 -87.55 108.94 19.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 129' ' ' GLU . 4.3 t80 -56.53 -27.99 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -72.12 -21.62 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -79.59 -27.14 41.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.16 -45.08 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' SG ' ' A' ' 59' ' ' CYS . 87.2 mt -64.07 -20.58 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -81.05 0.7 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' OE1' ' CG ' ' A' ' 47' ' ' ASP . 20.3 mm-40 -103.87 -46.27 4.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 88' ' ' TRP . 3.4 p -66.4 112.93 4.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.649 ' OG1' HG12 ' A' ' 63' ' ' VAL . 61.7 p -123.12 176.25 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 1.2 p-10 -79.62 2.51 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.11 18.56 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG12 ' OG1' ' A' ' 60' ' ' THR . 10.2 p -154.09 159.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.597 ' NE ' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -150.79 131.21 13.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.73 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.04 170.06 12.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 108' ' ' VAL . 13.7 m-85 -83.76 151.57 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.96 101.18 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' HG11 ' A' ' 24' ' ' VAL . 4.6 t80 -91.99 118.86 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 ' HB2' ' A' ' 33' ' ' TRP . 23.3 t -125.07 148.63 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 17.2 ttt180 -104.53 123.16 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -113.43 149.9 33.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.8 107.35 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 t -158.16 129.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.71 143.67 5.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' SER . 47.6 m-20 -106.69 -72.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 78' ' ' SER . . . 41.96 38.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.2 ttp 69.93 -15.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 76' ' ' ALA . 6.5 t -156.65 99.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.3 127.96 21.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -107.29 148.44 28.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 p -81.88 120.59 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -97.1 163.47 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.509 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 5.3 m-85 -152.1 171.01 18.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -171.98 127.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -81.63 91.0 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.7 mt -73.24 100.62 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' PHE . 3.4 m -82.24 101.58 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 59' ' ' CYS . 54.3 t-105 -82.41 140.8 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 90' ' ' GLY . 71.4 mt -146.63 99.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' ILE . . . -34.46 134.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.82 3.64 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' ASP . 24.9 t70 -118.94 -11.31 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 97' ' ' GLN . 43.6 t -58.94 144.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 95' ' ' GLY . 17.5 m -66.04 132.73 49.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 94' ' ' SER . . . -33.63 -36.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.2 tm? -52.12 -63.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 24.8 mm-40 -59.51 -34.31 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 98' ' ' ARG . 7.2 tmm_? -73.54 -26.11 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' GLY . . . -88.62 -13.45 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -39.49 9.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -47.42 -36.97 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.69 -31.92 55.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.7 m -73.4 -29.86 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.681 ' CG ' HG21 ' A' ' 10' ' ' THR . 97.0 m-20 -85.53 3.73 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' CD ' ' OE1' ' A' ' 118' ' ' GLU . 6.6 ttpp -71.45 -32.54 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 15.3 m -60.33 -21.02 61.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.758 ' N ' HD12 ' A' ' 107' ' ' LEU . 1.6 mp -82.95 -49.42 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 66' ' ' PHE . 19.8 t -63.06 -32.96 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -36.66 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' THR . 1.8 mm-40 -45.64 -36.69 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 18' ' ' ARG . 79.3 t -88.77 -41.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.901 HG22 ' CD1' ' A' ' 21' ' ' TYR . 46.0 t -96.68 99.96 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -122.13 -30.88 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' PHE . 0.5 OUTLIER -67.75 -28.06 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -52.21 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 115' ' ' PHE . . . -98.17 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . 8.1 tttp -161.79 162.59 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 117' ' ' LYS . 6.5 pt-20 -86.79 134.05 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' THR . 3.1 m-85 -106.4 100.29 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.84 100.07 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.754 HG21 HD22 ' A' ' 127' ' ' LEU . 38.9 mt -111.6 143.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -17.26 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.72 126.75 53.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -51.76 -37.25 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 1.9 mppt? -53.42 -15.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 121' ' ' ILE . 3.2 mm-40 -101.8 -18.65 15.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 121' ' ' ILE . 2.8 mm? -67.97 -12.33 60.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' GLU . 6.9 mt-10 -52.42 105.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 7.6 pt-20 -37.29 -37.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.03 -47.0 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE2' ' OE2' ' A' ' 126' ' ' GLU . 33.4 t80 -65.83 -34.71 78.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.19 -49.64 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -58.23 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -40.15 -39.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 139' ' ' ALA . 54.8 mm-40 -66.57 -56.83 8.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 139' ' ' ALA . 64.6 mt -53.96 -41.8 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -54.24 -39.13 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -115.21 19.85 15.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . . . -50.79 175.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.14 68.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 144.25 95.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -136.27 104.2 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.78 110.97 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.6 125.33 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.53 103.2 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.58 101.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.441 ' NE2' ' H ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -80.01 -50.24 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 20.6 m 39.24 48.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.441 ' H ' ' NE2' ' A' ' 147' ' ' GLN . 18.4 tt0 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 stop_ save_