data_2cqa_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 2cqa _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 ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mm -139.66 138.69 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -136.26 127.26 42.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -120.5 127.02 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.23 177.59 24.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.76 105.68 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -41.44 98.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.68 -56.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.35 150.07 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 98.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.41 138.1 31.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.07 139.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.03 171.72 26.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -128.93 122.49 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tp -113.1 140.77 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.4 m -122.31 130.6 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -132.57 137.68 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.82 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -99.53 140.06 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -130.53 134.69 47.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.36 142.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.05 132.74 50.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.97 121.81 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.75 127.85 45.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.72 -126.02 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -110.82 -19.74 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -94.25 -28.27 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.3 mtt -69.96 -33.65 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.21 -49.28 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -46.1 -33.64 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.4 m -71.46 -40.01 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -71.72 -18.2 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.8 p -89.04 -53.31 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -48.83 -34.36 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.402 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 5.0 m-20 -112.24 5.89 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 61' ' ' ASP . 1.2 mppt? 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 81.6 t -55.38 126.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -123.92 174.91 7.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.76 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.38 -31.29 7.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.46 172.08 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -116.68 120.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -127.03 156.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -107.07 169.42 8.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.79 116.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.3 t0 -94.58 105.34 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -74.6 -21.2 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.1 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -105.89 -18.32 14.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 81.76 26.92 48.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -109.88 155.47 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.691 0.282 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 79' ' ' SER . 34.9 mt -119.51 141.8 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' HG21 ' A' ' 78' ' ' ILE . 4.4 m -128.33 152.95 47.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -101.82 138.56 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' OE2' ' CB ' ' A' ' 74' ' ' ALA . 10.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.789 0.328 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.02 144.64 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.68 132.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -119.74 120.65 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.78 168.1 26.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.31 106.87 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -41.4 114.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.1 t -100.55 -52.72 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -143.45 139.56 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -126.21 97.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -100.35 148.3 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . 11.2 mtpt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.22 155.65 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.85 160.65 29.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -125.39 130.2 51.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 39' ' ' LEU . 6.0 tp -127.13 140.65 52.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.8 m -120.98 128.61 52.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 37' ' ' LEU . 7.5 mp -127.88 137.52 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.777 0.322 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.77 138.83 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -130.49 147.65 52.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.39 146.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 21.2 m-85 -122.27 135.5 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.28 112.83 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -96.56 150.77 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . -112.76 -108.94 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -121.66 -50.05 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -65.83 -34.71 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -61.69 -38.67 88.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.5 mt -70.23 -45.35 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -48.49 -31.49 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -74.22 -47.92 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mt -57.62 -15.88 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -91.42 -56.11 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -45.49 -31.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -113.39 -4.66 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm 52.93 49.5 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.17 131.05 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -131.43 -179.09 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.22 151.45 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -27.68 18.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.63 171.97 9.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -115.19 122.65 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.37 147.52 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 81' ' ' LEU . 21.5 p -101.64 165.19 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 54.7 mt -134.31 107.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -89.2 101.2 13.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -64.33 -41.73 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . . . -48.07 -49.4 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -100.08 -9.53 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.5 36.0 92.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -121.93 156.09 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -111.4 129.38 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -115.24 152.8 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -106.38 139.28 41.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 70' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -136.13 141.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -144.3 123.31 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.84 135.99 52.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.33 169.3 32.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.55 113.26 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' HD12 ' A' ' 21' ' ' ILE . 60.3 t -48.3 114.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.8 t -99.93 -44.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -157.24 150.2 23.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 18' ' ' VAL . 55.0 mt -140.35 118.93 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.91 152.13 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 3.0 m -132.31 121.07 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.27 169.18 14.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' CE ' HG21 ' A' ' 47' ' ' ILE . 2.4 mtpm? -127.51 125.79 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 12.9 tp -119.74 144.64 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.5 m -129.58 112.21 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 7.4 mp -111.92 144.68 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ptt? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -115.46 127.76 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.468 HG21 ' CE1' ' A' ' 48' ' ' TYR . 22.5 m -111.79 138.68 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG21 ' CE ' ' A' ' 36' ' ' LYS . 4.7 mp -95.05 116.3 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 46' ' ' THR . 56.4 m-85 -106.78 127.58 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -79.17 128.0 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -102.08 149.33 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.42 -121.96 5.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -105.73 -44.69 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.83 -50.08 46.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 mtt -42.94 -49.83 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.99 -51.95 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -40.45 -31.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -80.49 -44.24 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.73 -18.76 64.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.4 p -86.37 -44.57 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.2 -37.28 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.5 5.23 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 40.26 54.28 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.67 130.75 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.36 164.01 23.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.54 149.56 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.34 -36.77 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.66 172.02 13.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.2 111.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -111.08 171.63 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -122.55 172.75 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.8 mt -141.09 115.3 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -100.46 105.49 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ALA . 39.6 mttp -67.88 -37.75 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.21 -54.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -111.98 -25.97 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.14 27.87 10.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -106.12 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 79' ' ' SER . 20.8 mt -120.16 136.23 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 78' ' ' ILE . 1.2 t -117.53 153.42 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.96 141.08 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -141.51 128.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.0 116.18 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.57 140.13 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 165.98 33.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.02 107.02 13.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' HD11 ' A' ' 21' ' ' ILE . 48.9 t -43.04 106.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -86.92 -52.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 4.6 tp10 -153.88 148.65 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 HD11 ' CG1' ' A' ' 18' ' ' VAL . 78.5 mt -133.14 129.36 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -136.77 151.32 49.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 5.0 m -132.54 116.1 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.69 156.55 15.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -116.8 117.94 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 6.3 tp -113.79 146.67 39.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -131.28 115.72 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.65 138.82 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 36.9 ttmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 ptt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.696 0.284 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 26.7 mt-10 -103.17 140.27 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -128.03 135.16 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.03 127.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.17 121.76 44.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -62.33 114.15 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 79.7 mt -90.15 122.0 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.13 171.21 38.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 m -53.4 -35.4 60.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -45.67 52.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 mtt -53.95 -47.89 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mt -57.25 -50.91 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -46.61 -23.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 m -89.11 -38.45 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.83 -15.54 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 p -89.13 -38.19 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -66.07 -37.06 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -2.64 52.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 mttt 53.97 33.64 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.0 138.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -141.78 165.12 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 145.85 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.65 29.83 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.73 170.96 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.3 112.16 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.84 154.54 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.429 HG23 ' CD1' ' A' ' 81' ' ' LEU . 41.4 p -104.17 166.17 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.3 mt -136.07 112.67 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -95.17 105.62 17.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -70.06 -27.22 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.48 16.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -110.97 -16.51 13.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 84.74 29.08 30.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.49 158.26 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.1 mt -127.43 126.62 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -112.75 153.46 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -102.75 139.96 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.429 ' CD1' HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -145.04 140.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -132.63 114.19 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.07 141.88 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.91 174.79 41.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -90.05 119.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.74 108.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.4 t -92.33 -53.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -149.95 141.83 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.54 100.25 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -89.04 155.84 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 m -155.35 162.55 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.27 151.85 23.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -112.62 118.1 34.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 10.3 tp -110.41 138.08 47.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.409 HG21 ' CD ' ' A' ' 45' ' ' GLU . 53.0 m -126.79 125.28 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mp -116.1 152.07 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CD ' HG21 ' A' ' 38' ' ' THR . 3.8 tt0 -123.76 117.07 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 m -105.49 150.64 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.42 116.99 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.663 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 15.2 m-85 -97.05 142.32 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.48 128.39 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 37' ' ' LEU . 13.7 mt -99.1 119.01 37.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.33 168.75 35.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -52.37 -19.25 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.365 . . . . 0.0 111.136 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -93.71 -35.62 12.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.1 mtt -63.95 -44.88 91.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.42 -47.46 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.26 -21.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -91.64 -36.29 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.27 -11.56 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.3 p -90.25 -43.42 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 18.3 pttp -63.71 -35.08 79.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 63.3 m-20 -102.27 6.22 40.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt 38.03 47.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -55.37 125.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -121.47 169.9 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 163.38 11.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.21 -25.77 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.36 171.82 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -115.96 118.78 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.84 159.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 81' ' ' LEU . 18.7 p -115.82 160.38 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.663 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 20.4 mt -135.41 110.83 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.2 t70 -92.08 105.35 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -65.77 -28.57 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.6 -58.58 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -87.98 -11.76 46.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.72 31.46 80.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -118.19 157.31 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 79' ' ' SER . 33.1 mt -120.57 139.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 78' ' ' ILE . 14.2 m -132.08 151.95 51.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.11 143.06 29.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 70' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 14' ' ' ILE . 25.3 mt -144.01 138.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.5 mt -136.81 120.59 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -108.37 140.59 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.38 173.43 36.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.59 109.03 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 67' ' ' ASP . 60.4 t -50.64 113.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.36 -53.07 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -142.94 143.61 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.2 mt -131.87 96.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -84.27 142.96 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' HG12 ' A' ' 34' ' ' VAL . 55.6 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 33' ' ' LYS . 24.7 m -140.1 146.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.38 154.92 26.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -129.59 119.07 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.358 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.9 143.65 44.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.0 m -130.89 118.82 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.67 138.12 48.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.834 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.773 0.321 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -112.45 115.72 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -107.55 135.24 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -103.3 109.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.25 139.85 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -85.09 158.07 20.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -131.1 161.34 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -123.81 -125.85 3.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.0 m -101.95 -41.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -77.03 -46.91 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.4 mtt -51.37 -35.35 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 81.5 mt -69.46 -49.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.44 -27.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -76.52 -40.57 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.45 -14.1 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.1 p -93.89 -40.57 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -30.63 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 5.4 m-20 -105.0 3.71 30.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt 43.27 49.3 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.97 131.83 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -130.27 170.16 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 148.11 43.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.62 -35.05 5.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -88.87 130.47 35.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.46 113.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -112.33 149.56 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.422 HG23 ' CD1' ' A' ' 81' ' ' LEU . 41.3 p -99.62 169.56 9.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.2 mt -142.14 109.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.6 t0 -90.58 106.0 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -67.16 -31.86 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.11 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -93.92 -14.28 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.3 32.26 81.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.66 153.02 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.4 mt -113.63 127.91 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 m -121.31 134.12 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -90.15 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' CD1' HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.779 0.323 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.2 mt -144.94 144.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -144.15 128.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -110.55 138.46 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.63 162.13 30.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.03 106.63 14.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG1' HD12 ' A' ' 21' ' ' ILE . 97.1 t -46.59 108.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 t -93.47 -53.09 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.64 147.81 38.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.441 HD12 ' CG1' ' A' ' 18' ' ' VAL . 88.7 mt -134.04 105.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -103.86 140.77 37.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 mm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -138.06 154.04 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.89 168.34 36.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -129.94 144.83 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 10.5 tp -138.59 141.58 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 m -122.7 130.81 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 9.1 mp -131.65 128.36 38.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.695 0.283 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.61 163.28 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 47' ' ' ILE . 85.7 m -150.31 138.52 20.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.438 ' N ' HG22 ' A' ' 46' ' ' THR . 62.3 mt -82.87 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -120.62 116.81 26.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -62.18 114.57 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt -97.69 149.27 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.19 -118.0 3.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -109.94 -54.44 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -60.89 -39.38 89.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.7 mmt -54.47 -50.02 68.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.31 -44.46 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -44.52 -26.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -87.86 -41.43 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -14.63 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 p -92.05 -44.87 8.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -43.94 94.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.1 m-20 -91.95 9.59 32.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 36.59 51.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.24 143.85 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -150.14 -179.49 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 138.86 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.36 -31.19 6.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.04 130.99 44.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.866 0.365 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.0 t -79.96 113.48 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 69' ' ' ILE . 2.7 pp -111.0 161.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.405 ' CG2' HD11 ' A' ' 81' ' ' LEU . 15.5 p -112.67 169.42 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.27 107.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.7 t0 -97.1 107.93 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -65.02 -39.84 94.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.12 -59.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -105.75 -19.2 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 82.86 28.99 36.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -100.01 153.35 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mt -122.89 117.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -106.64 153.23 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -103.1 138.68 39.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD11 ' CG2' ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.91 130.13 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.59 113.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 0.8 OUTLIER -114.7 166.21 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.35 168.14 40.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -82.54 104.66 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -49.87 129.32 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.34 -47.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.29 138.17 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.1 mt -130.63 110.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -103.9 147.08 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.792 0.329 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.5 138.37 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.05 146.04 17.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 36' ' ' LYS . 4.0 tmmm? -111.38 120.91 43.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -115.38 130.58 56.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 89.5 m -119.33 122.86 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.47 147.37 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.868 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.522 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -138.62 133.59 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -129.88 146.72 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -111.6 110.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -91.67 117.04 29.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -66.3 131.72 46.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.2 126.3 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.54 -124.0 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.8 m -114.01 -34.99 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -80.72 -43.36 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.4 mtt -53.62 -37.96 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . 61.3 mt -67.1 -52.71 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -39.73 -27.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m -85.69 -45.76 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.12 -11.75 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -93.45 -44.08 8.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -64.54 -23.37 67.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 63' ' ' VAL . 12.5 p30 -106.28 0.37 25.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 46.6 42.72 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 61' ' ' ASP . 92.8 t -55.9 146.18 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' N ' HG12 ' A' ' 63' ' ' VAL . 41.5 mt-30 -154.05 175.87 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.79 140.3 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.92 -28.23 10.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.65 172.06 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.4 t -119.19 113.44 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.409 HG22 ' CG ' ' A' ' 80' ' ' LYS . 2.5 pp -112.71 154.59 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 15' ' ' GLU . 28.2 p -107.34 166.31 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -135.98 112.11 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 t0 -96.4 105.95 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -68.11 -36.59 80.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.74 -53.9 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -107.84 -37.46 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 102.14 33.17 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -107.72 153.1 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.5 128.18 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.2 m -119.87 153.08 36.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' CG ' HG22 ' A' ' 69' ' ' ILE . 7.2 mtpm? -98.53 143.12 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 13' ' ' ILE . 6.1 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 12' ' ' GLU . 5.7 mm -144.77 133.67 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.453 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 1.7 mm -118.23 154.11 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -149.61 118.51 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.78 162.55 30.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 42.6 tt0 -83.14 103.98 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLU . 19.9 t -36.91 106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -90.46 -52.62 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -146.98 147.31 30.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -133.06 97.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -98.78 155.62 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 19.1 tptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG12 ' C ' ' A' ' 33' ' ' LYS . 23.9 m -139.34 148.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 50' ' ' LEU . . . -143.02 166.86 26.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -124.0 118.19 26.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 39' ' ' LEU . 11.4 tp -116.03 145.15 43.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -126.81 124.93 40.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 37' ' ' LEU . 7.1 mp -128.26 138.21 52.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 28.5 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.733 0.302 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 28.3 mt-10 -96.48 132.64 41.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 47' ' ' ILE . 69.8 m -125.84 138.71 53.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' N ' HG21 ' A' ' 46' ' ' THR . 4.0 mp -87.37 133.99 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CZ ' HG21 ' A' ' 14' ' ' ILE . 95.9 m-85 -116.88 122.81 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -60.16 118.98 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 35' ' ' GLY . 70.3 mt -88.49 121.98 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.15 159.76 26.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -44.79 -30.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.86 -51.46 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.2 mtt -46.76 -50.79 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 92.6 mt -52.46 -53.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -41.92 -28.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t -80.99 -52.33 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.67 -11.16 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 p -91.55 -47.9 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -55.14 -40.05 70.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.71 9.17 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 38.02 39.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.1 t -38.4 127.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -120.84 161.63 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.49 155.76 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.48 -28.29 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 165.71 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -114.82 112.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -115.21 149.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.7 p -102.86 166.67 10.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.34 108.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.3 t0 -91.62 105.16 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -68.18 -38.53 82.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.14 -57.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 t -108.0 -14.27 14.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 79.65 30.87 42.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -101.98 155.62 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.7 mt -121.83 123.23 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.7 m -110.75 153.14 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -107.38 138.7 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 14' ' ' ILE . 23.1 mt -143.99 140.87 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.405 ' N ' HG21 ' A' ' 13' ' ' ILE . 1.8 mt -137.5 120.5 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.37 123.29 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.08 165.98 27.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.62 108.61 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG1' HD11 ' A' ' 21' ' ' ILE . 11.9 t -42.3 107.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 HG22 ' CD ' ' A' ' 45' ' ' GLU . 60.1 t -90.46 -46.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -152.94 152.32 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.431 HD11 ' CG1' ' A' ' 18' ' ' VAL . 52.5 mt -140.6 109.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -114.33 153.98 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.65 147.92 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.79 150.9 21.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -105.37 121.73 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 5.5 tp -113.92 145.89 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -130.31 122.91 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 mp -122.3 139.16 54.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.702 0.286 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' HG22 ' A' ' 19' ' ' VAL . 14.9 mt-10 -92.34 132.9 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 47' ' ' ILE . 99.2 m -127.41 138.7 53.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 46' ' ' THR . 66.9 mt -82.86 144.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 118.37 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.67 117.98 7.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 63.4 mt -97.13 120.21 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' THR . . . -86.92 162.49 34.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.524 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' GLY . 92.8 m -36.62 -61.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.2 pttp -51.57 -58.94 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' LYS . 11.2 mtt -37.44 -48.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' SER . 94.8 mt -57.74 -49.72 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -39.68 -29.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.0 t -79.71 -49.9 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.58 -13.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 p -91.91 -50.1 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -48.14 -43.45 31.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 8.2 t0 -101.12 -1.56 33.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt 51.62 44.73 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 69' ' ' ILE . 77.9 t -50.71 138.2 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.439 ' N ' HG11 ' A' ' 63' ' ' VAL . 11.5 mt-30 -136.79 178.63 6.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.83 147.98 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.35 -18.79 55.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.499 ' OD2' ' CE ' ' A' ' 80' ' ' LYS . 1.4 m-20 -96.29 170.69 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.92 113.74 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' HG12 ' A' ' 63' ' ' VAL . 2.1 pp -118.67 168.31 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.5 p -121.13 170.75 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -142.93 109.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.9 t70 -89.29 106.45 18.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -70.28 -29.98 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.68 -48.24 77.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -98.71 -13.19 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.36 27.11 72.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -113.73 153.0 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.05 133.46 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -122.56 150.46 42.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CE ' ' OD2' ' A' ' 67' ' ' ASP . 83.9 tttt -105.97 136.45 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 14' ' ' ILE . 29.4 mt -144.79 140.36 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.449 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.0 mt -132.51 121.24 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -115.18 143.19 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -162.14 174.79 38.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -89.84 105.6 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 21' ' ' ILE . 50.7 t -39.34 105.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.81 -55.02 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -142.61 143.2 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 18' ' ' VAL . 81.8 mt -129.11 95.17 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.34 142.21 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' HG13 ' A' ' 34' ' ' VAL . 23.1 mtmm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.408 HG13 ' C ' ' A' ' 33' ' ' LYS . 25.9 m -145.52 140.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 162.25 29.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -120.9 150.19 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.6 tp -137.82 145.83 42.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.487 ' CG2' ' OE2' ' A' ' 45' ' ' GLU . 58.1 m -127.74 127.94 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.5 mp -131.41 129.25 41.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' CA ' ' HG3' ' A' ' 45' ' ' GLU . 32.4 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.77 0.319 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 38' ' ' THR . 15.4 tt0 -99.69 114.42 27.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 m -105.84 149.77 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.6 mt -102.12 104.26 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 9.7 m-85 -83.77 131.2 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.9 136.27 33.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -108.2 172.81 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.82 -102.64 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.7 m -124.96 -47.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -39.87 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 mtt -61.61 -47.12 86.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.53 -45.05 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.62 -28.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.6 m -83.59 -47.2 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -55.9 -13.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -90.3 -41.62 11.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -57.28 -49.58 75.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.43 -0.69 57.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.57 49.88 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.81 150.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -153.93 166.88 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.05 142.76 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.99 -29.51 11.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 m-20 -94.05 156.35 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.3 t -103.4 115.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -115.2 142.74 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.411 ' C ' HG13 ' A' ' 71' ' ' ILE . 17.5 p -95.46 166.67 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 22.1 mt -141.37 109.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -88.17 106.8 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -65.4 -38.05 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.21 85.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.1 p -90.89 -12.11 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 56.7 36.45 71.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -122.46 158.05 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.2 mt -118.12 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -113.63 138.52 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.7 137.82 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.959 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -144.38 140.54 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.63 133.91 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -114.33 146.28 40.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.49 159.85 33.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -80.76 109.69 15.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' CG1' ' A' ' 69' ' ' ILE . 50.0 t -51.86 124.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.82 -47.53 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -144.1 137.56 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -128.84 96.22 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -89.93 139.99 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 mttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -149.06 154.25 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.57 169.68 37.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' CE ' ' CG2' ' A' ' 47' ' ' ILE . 11.0 mtpt -129.65 119.14 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tp -111.41 139.23 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -128.22 122.18 31.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 138.18 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.826 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.304 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -116.83 137.99 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -121.27 151.89 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' CG2' ' CE ' ' A' ' 36' ' ' LYS . 5.3 mp -123.41 104.52 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -92.61 138.74 31.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.28 120.26 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.0 mt -89.12 156.08 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.8 -127.89 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 m -101.66 -40.98 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -75.28 -44.49 45.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -53.81 -43.45 69.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' LEU . 83.0 mt -62.67 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.75 -28.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -84.94 -37.86 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.6 mt -71.8 -21.99 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -90.67 -48.77 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -29.76 17.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -112.55 -11.69 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mptt 63.75 38.55 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.76 138.2 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -141.09 163.68 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.83 138.93 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.24 -36.03 4.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.37 132.94 35.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.2 t -79.98 112.93 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.406 ' CG1' ' CG2' ' A' ' 18' ' ' VAL . 2.7 pp -109.61 155.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 p -106.32 164.91 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.59 109.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' GLY . 5.4 t0 -92.19 105.22 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -70.78 -33.22 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.52 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -107.5 -23.92 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 90.69 27.29 20.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -108.71 154.93 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 79' ' ' SER . 32.8 mt -116.18 138.25 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 78' ' ' ILE . 51.7 m -124.92 132.75 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -90.24 138.29 31.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 74' ' ' ALA . 11.1 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 14' ' ' ILE . 22.3 mt -144.95 139.17 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.436 ' N ' HG21 ' A' ' 13' ' ' ILE . 2.5 mt -136.39 125.57 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -113.98 144.08 43.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' N ' ' OE1' ' A' ' 15' ' ' GLU . . . -165.03 164.52 37.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -81.1 118.03 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 67' ' ' ASP . 34.1 t -60.13 124.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.4 t -111.96 -49.99 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -142.25 142.22 32.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 37' ' ' LEU . 96.7 mt -134.05 97.03 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.34 138.4 35.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' C ' HG11 ' A' ' 34' ' ' VAL . 3.9 ttmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG11 ' C ' ' A' ' 33' ' ' LYS . 9.9 m -135.46 145.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.7 158.3 28.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -119.24 148.73 42.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' A' ' 21' ' ' ILE . 3.1 tp -137.68 135.27 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 85.7 m -122.39 123.42 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.7 134.1 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.833 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.697 0.284 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 4.4 tt0 -120.22 134.69 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -126.71 153.13 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mt -113.61 140.16 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.97 139.86 53.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.0 143.46 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.29 129.05 50.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.62 -121.17 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -108.26 -44.52 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -74.0 -37.25 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -60.65 -33.15 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.17 -40.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -53.83 -20.97 6.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 -45.79 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.55 -28.43 63.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.7 p -79.04 -46.83 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -49.4 -53.23 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.69 0.96 55.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 50.93 40.4 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.7 t -46.38 129.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -129.98 164.25 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.49 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.8 -39.69 2.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.494 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 17.1 m-20 -82.86 143.37 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.81 112.58 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 69' ' ' ILE . 2.1 pp -111.8 145.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 p -98.61 163.48 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mt -135.86 106.92 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t0 -83.28 107.45 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -75.11 -35.47 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB3' ' CD ' ' A' ' 12' ' ' GLU . . . -65.03 -30.11 71.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 p -113.56 -10.39 13.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.94 41.65 99.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -120.62 158.21 27.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.42 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 84.0 mt -124.02 115.75 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -109.52 151.93 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -109.31 139.99 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.1 mm -137.65 128.06 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -122.72 135.09 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -125.47 138.63 54.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' CA ' HD22 ' A' ' 39' ' ' LEU . . . -162.25 170.21 37.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -87.6 103.63 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.2 t -41.72 125.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.93 -50.52 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.61 134.67 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.8 mt -126.78 95.01 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.2 139.31 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' CD1' ' A' ' 55' ' ' ILE . 29.4 tptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.14 147.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.21 170.55 37.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -127.47 142.11 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 71' ' ' ILE . 6.1 tp -125.33 132.51 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 m -118.55 126.36 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CA ' ' A' ' 16' ' ' GLY . 9.7 mp -120.56 137.55 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.539 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 1.8 ttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -134.0 112.65 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -99.01 152.69 19.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -124.12 138.22 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.51 138.68 53.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -89.94 132.38 35.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.29 137.08 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.86 -106.37 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -119.93 -29.76 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -85.07 -46.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -49.64 -37.98 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' CG ' ' A' ' 33' ' ' LYS . 88.4 mt -68.69 -50.55 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.04 -31.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 m -78.12 -49.96 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.62 -11.62 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -93.52 -50.07 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.3 ptmt -53.94 -30.72 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 2.7 t70 -114.26 7.31 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm 42.3 35.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.01 123.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -118.89 166.02 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.97 135.48 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.87 -35.36 3.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.35 168.15 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.7 t -113.94 104.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 69' ' ' ILE . 1.7 pp -114.28 145.94 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.465 HG22 ' CD1' ' A' ' 81' ' ' LEU . 81.2 p -100.07 173.08 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' A' ' 37' ' ' LEU . 77.9 mt -140.67 109.49 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -88.14 103.51 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -62.52 -37.96 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.97 -52.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.427 ' CG2' ' HG3' ' A' ' 77' ' ' LYS . 14.4 t -123.18 8.04 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.11 31.63 73.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.427 ' HG3' ' CG2' ' A' ' 75' ' ' THR . 12.6 mttm -97.33 144.54 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -111.13 132.86 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -124.59 142.79 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -94.7 140.74 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 70' ' ' THR . 2.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -139.39 148.65 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -147.34 125.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.4 138.15 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.59 165.15 33.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -80.72 104.1 11.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 21' ' ' ILE . 48.4 t -40.93 103.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.73 -52.14 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -153.17 146.21 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 18' ' ' VAL . 55.1 mt -127.41 95.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -91.58 149.0 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 m -145.0 138.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . -155.36 145.9 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 27.2 mmtm -103.73 135.85 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 38' ' ' THR . 4.9 tp -121.92 150.06 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.555 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 41.2 m -131.04 129.63 42.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 mp -135.59 126.47 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 6.1 tt0 -98.82 132.77 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -123.44 137.96 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' CG2' ' HD2' ' A' ' 36' ' ' LYS . 61.8 mt -90.13 103.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.88 147.98 24.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.41 146.3 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' GLY . 25.2 mt -120.44 151.42 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -117.56 -128.78 4.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 m -99.23 -51.6 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.86 -48.98 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 mtt -53.35 -53.4 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 94.6 mt -59.97 -55.72 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -41.89 -24.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ILE . 22.9 t -83.33 -47.47 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.85 -10.8 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -93.02 -36.97 12.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -69.07 -32.38 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' CG ' HG23 ' A' ' 63' ' ' VAL . 1.6 p30 -94.74 -14.98 24.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.96 42.16 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' A' ' 61' ' ' ASP . 98.0 t -59.33 140.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -143.51 163.21 33.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.39 136.31 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.41 -31.94 5.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.7 166.09 13.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.88 112.32 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.24 149.97 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.3 p -98.27 173.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -144.13 106.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.5 t70 -92.56 107.13 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ALA . 25.4 mttm -68.11 -39.95 82.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -34.64 -54.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -112.07 -29.83 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 100.02 30.37 6.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -97.11 158.02 15.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.3 mt -132.79 118.54 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.8 m -108.13 153.98 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -99.24 142.98 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 14' ' ' ILE . 31.7 mt -144.8 140.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.453 ' N ' HG22 ' A' ' 13' ' ' ILE . 3.2 mt -142.76 119.87 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 28.7 tt0 -107.53 152.39 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -170.84 167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -81.12 116.92 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.53 107.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 73.6 t -95.2 -54.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -138.36 142.12 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt -131.53 95.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -82.1 134.49 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.72 142.91 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.77 170.79 34.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -124.46 158.16 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 39' ' ' LEU . 2.7 tp -141.49 129.35 21.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.7 m -113.76 121.59 44.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 37' ' ' LEU . 8.7 mp -114.47 129.93 56.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 26.7 ttmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -114.53 149.91 35.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -148.72 145.68 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.24 121.38 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -99.1 143.17 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.01 133.28 34.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.79 141.44 46.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.15 -122.16 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.3 m -114.7 -20.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -41.47 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.45 -32.03 69.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.98 -39.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.34 -26.45 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.9 t -79.15 -56.68 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 5.5 mt -51.65 -17.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 -39.98 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -67.6 -20.4 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 58' ' ' LEU . 5.7 p30 -107.6 -13.42 15.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.7 33.13 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.84 141.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -138.08 161.26 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.2 138.34 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.48 23.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.22 166.41 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.2 t -109.88 104.81 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pp -113.57 144.16 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 15' ' ' GLU . 40.9 p -94.99 173.06 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.0 mt -143.79 107.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -90.29 106.71 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.96 -38.93 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.47 -60.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -104.1 -19.7 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 85.0 31.78 22.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -103.55 158.09 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.77 138.62 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -128.48 153.76 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -101.12 140.13 35.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.437 ' CD1' HG23 ' A' ' 70' ' ' THR . 1.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 14' ' ' ILE . 57.1 mt -144.96 142.39 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' N ' HG21 ' A' ' 13' ' ' ILE . 2.9 mt -140.92 119.91 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -109.55 125.2 52.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.3 169.23 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 34.6 tt0 -86.98 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.932 0.396 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 21' ' ' ILE . 45.0 t -36.92 102.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.2 -55.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -148.61 141.35 24.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 HD11 ' CG1' ' A' ' 18' ' ' VAL . 79.7 mt -123.71 95.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.21 149.15 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.2 148.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.05 162.91 29.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -112.13 142.39 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 39' ' ' LEU . 5.9 tp -131.89 137.11 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -119.27 125.94 50.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD1' HD21 ' A' ' 37' ' ' LEU . 6.8 mp -128.39 138.99 52.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 30.3 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.694 0.283 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CD ' ' HG3' ' A' ' 40' ' ' LYS . 5.9 mp0 -92.75 128.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.5 m -122.16 134.38 54.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mt -82.99 143.12 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.68 148.18 48.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.92 108.21 19.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.2 120.72 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 179.4 34.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.2 m -52.93 -49.95 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -62.26 -44.05 97.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.0 mtt -54.78 -49.35 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 77.9 mt -57.86 -51.61 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -42.01 -25.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.9 m -86.08 -40.06 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.7 mt -61.52 -11.34 10.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.8 p -89.94 -53.41 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -47.95 -46.72 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.0 m-20 -102.33 13.36 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 61' ' ' ASP . 9.3 mtpm? 32.33 51.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.42 HG13 ' CG2' ' A' ' 69' ' ' ILE . 73.2 t -52.13 123.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -132.03 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 142.86 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.52 -31.21 8.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.85 159.98 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.9 t -105.28 112.99 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -115.08 144.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.9 p -99.7 164.38 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.69 106.93 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.23 107.98 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -72.5 -32.19 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.41 -48.41 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.94 -32.1 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.8 29.27 10.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -116.46 158.09 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.298 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.2 mt -117.04 126.5 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 150.18 28.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' HD22 ' A' ' 81' ' ' LEU . 44.7 tttm -106.8 140.05 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 80' ' ' LYS . 5.3 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.7 145.96 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mt -142.15 128.13 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -168.47 159.63 32.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -80.62 106.43 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 t -43.03 124.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.2 t -109.58 -48.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -149.09 141.26 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -133.78 119.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -123.06 146.43 47.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' C ' HG12 ' A' ' 34' ' ' VAL . 25.2 ttmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 33' ' ' LYS . 12.9 m -137.15 131.24 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.88 23.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -114.69 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' A' ' 50' ' ' LEU . 3.1 tp -118.17 134.26 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -120.67 124.21 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.38 139.57 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.6 tttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.804 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -126.57 118.32 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 m -106.59 148.99 27.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.76 113.85 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -93.58 151.03 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -100.69 120.56 40.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -101.72 138.49 38.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.23 -103.38 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -119.08 -62.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -49.88 -44.35 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.465 ' CG ' HD11 ' A' ' 78' ' ' ILE . 26.2 mtt -53.21 -50.77 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.42 -43.64 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.85 -26.91 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -86.47 -45.13 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -22.73 51.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.2 p -83.96 -49.65 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -48.98 -36.95 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.24 -9.65 17.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 61.6 34.08 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.0 t -40.82 129.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -131.1 173.24 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.42 132.01 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.98 -29.57 5.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 171.95 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.86 113.7 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -118.52 149.01 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.4 p -98.43 161.79 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -131.04 112.08 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.54 106.19 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -71.5 -36.71 71.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.6 -40.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -122.95 -38.04 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.15 4.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -105.55 151.28 24.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.465 HD11 ' CG ' ' A' ' 54' ' ' MET . 19.6 mt -119.46 122.47 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -107.23 154.01 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -105.07 136.58 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.2 mm -134.5 146.03 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -147.99 129.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -115.86 129.93 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.69 159.84 28.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -80.69 104.44 11.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.44 ' CG1' HD13 ' A' ' 21' ' ' ILE . 48.7 t -42.79 127.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 92.8 t -111.07 -49.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.68 137.38 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.44 HD13 ' CG1' ' A' ' 18' ' ' VAL . 56.5 mt -126.27 95.34 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -86.54 147.17 26.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mttp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -147.57 150.35 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.0 167.88 35.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -126.82 119.48 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.61 139.49 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -127.05 119.92 27.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 39' ' ' LEU . 7.4 mp -109.86 144.38 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 34.2 ttpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.707 0.289 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -106.83 138.02 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.519 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 30.8 m -123.62 136.09 54.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.159 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -110.78 132.2 59.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CZ ' HG23 ' A' ' 46' ' ' THR . 90.1 m-85 -118.62 135.31 54.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -75.26 121.39 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -96.25 125.51 40.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.36 -127.7 5.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 m -100.64 -68.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.85 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.85 -46.15 58.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.4 -43.56 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -49.01 -34.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -72.37 -40.57 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.18 -17.43 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.9 p -92.06 -45.0 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.45 6.07 47.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp 40.61 52.5 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.77 130.81 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.8 171.52 13.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.25 146.76 54.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.01 -28.63 14.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.36 164.33 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.9 t -107.37 113.98 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -113.92 141.57 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -96.8 161.52 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.7 mt -132.07 124.87 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -107.34 100.45 9.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.4 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -122.68 -11.59 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.82 16.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.65 156.64 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mt -121.44 143.16 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -129.14 153.36 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.45 141.48 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' ' OD2' ' A' ' 72' ' ' ASP . 4.6 mm -137.39 146.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -149.39 114.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.92 124.73 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.77 166.25 25.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.1 106.87 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 t -43.11 110.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.6 -52.15 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -141.79 138.34 32.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.2 mt -130.25 110.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -117.75 134.38 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -143.0 154.23 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 162.07 33.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HG3' ' CG2' ' A' ' 47' ' ' ILE . 18.8 ttpt -116.47 130.14 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.1 tp -124.09 145.3 49.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m -128.23 126.38 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -130.19 136.13 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 14.2 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.736 0.303 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 40.8 mt-10 -92.65 159.52 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.7 m -150.2 134.17 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 ' CG2' ' HG3' ' A' ' 36' ' ' LYS . 7.7 mt -82.77 126.61 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -104.49 117.59 34.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.16 116.98 4.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.01 162.61 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.3 -111.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 m -120.09 -36.6 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -76.57 -41.4 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.15 -43.47 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.27 -42.77 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -46.2 -27.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.9 m -83.14 -49.54 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.8 -12.08 9.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.3 p -93.79 -51.6 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -52.71 -27.87 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LYS . 5.8 m-20 -120.96 11.11 10.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ASP . 30.4 mmtm 35.11 45.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.45 134.64 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -130.25 177.29 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.78 141.76 56.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.52 -30.55 8.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.55 171.12 10.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.11 115.63 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pp -120.37 147.66 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 81' ' ' LEU . 58.8 p -95.91 171.69 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.76 108.57 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -89.77 99.89 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.35 -37.36 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.5 -56.89 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.433 HG23 ' CG ' ' A' ' 77' ' ' LYS . 8.8 t -121.64 14.58 10.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.6 25.38 55.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CG ' HG23 ' A' ' 75' ' ' THR . 7.9 mmtp -85.51 155.46 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 79' ' ' SER . 45.3 mt -129.2 134.63 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 78' ' ' ILE . 58.8 m -123.97 152.32 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -100.43 135.84 41.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -79.27 -45.03 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 t -46.46 127.27 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.37 135.57 4.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -150.33 169.32 21.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -78.46 90.2 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.0 -110.52 0.8 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.7 tttp 59.13 45.84 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -87.6 35.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 114.28 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.4 m -117.29 138.35 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.57 35.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mm -139.66 138.69 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -136.26 127.26 42.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -120.5 127.02 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.23 177.59 24.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.76 105.68 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -41.44 98.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.68 -56.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.35 150.07 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -132.91 98.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.41 138.1 31.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -127.92 119.42 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -88.09 132.94 34.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -87.12 155.73 54.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . 54.0 Cg_endo -69.74 -7.02 19.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . -35.84 -43.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 m -158.46 141.46 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.81 -110.17 0.6 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 p -121.36 -48.32 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 -62.31 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.445 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 17.8 m -49.56 123.42 7.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.897 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -48.52 122.8 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 32' ' ' SER . 2.2 m -132.07 139.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.03 171.72 26.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -128.93 122.49 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tp -113.1 140.77 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.4 m -122.31 130.6 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -132.57 137.68 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -90.21 99.75 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 p -127.02 135.48 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.1 m 62.78 54.84 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 48.17 25.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -153.9 144.97 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -99.53 140.06 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -130.53 134.69 47.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.36 142.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -127.05 132.74 50.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.97 121.81 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.75 127.85 45.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.72 -126.02 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -110.82 -19.74 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -94.25 -28.27 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.3 mtt -69.96 -33.65 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.21 -49.28 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -46.1 -33.64 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.4 m -71.46 -40.01 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -71.72 -18.2 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.8 p -89.04 -53.31 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -48.83 -34.36 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 5.0 m-20 -112.24 5.89 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 61' ' ' ASP . 1.2 mppt? 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 81.6 t -55.38 126.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -123.92 174.91 7.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.76 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.38 -31.29 7.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -84.46 172.08 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.6 t -116.68 120.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -127.03 156.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -107.07 169.42 8.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.79 116.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.3 t0 -94.58 105.34 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -74.6 -21.2 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.1 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -105.89 -18.32 14.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 81.76 26.92 48.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -109.88 155.47 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.691 0.282 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 79' ' ' SER . 34.9 mt -119.51 141.8 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' HG21 ' A' ' 78' ' ' ILE . 4.4 m -128.33 152.95 47.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -101.82 138.56 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.69 -37.65 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.83 -102.54 0.9 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -115.91 175.58 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.2 t -151.84 166.34 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.63 98.38 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.4 m -95.1 134.85 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.186 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -91.62 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.16 152.23 36.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -88.39 129.86 35.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -119.7 -55.7 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.33 -94.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 110.82 2.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.4 p -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -121.11 -45.86 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 p -69.07 105.51 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -92.69 174.75 7.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.96 -151.2 6.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -134.49 168.26 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -173.45 171.99 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.04 -155.8 26.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.77 -33.95 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -126.84 131.53 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.29 144.48 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.69 112.71 25.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' OE2' ' CB ' ' A' ' 74' ' ' ALA . 10.3 pt-20 -87.79 34.9 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.02 144.64 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.68 132.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -119.74 120.65 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.78 168.1 26.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.31 106.87 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 t -41.4 114.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.1 t -100.55 -52.72 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -143.45 139.56 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -126.21 97.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -100.35 148.3 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -136.45 125.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' HB2' ' CG2' ' A' ' 34' ' ' VAL . 10.7 m-20 -88.63 114.99 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.37 156.55 62.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.63 18.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.23 119.19 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.9 p 43.03 40.57 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.85 157.58 8.69 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.7 m -125.66 150.0 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.131 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.51 -102.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 m -123.19 99.43 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . 11.2 mtpt -43.89 140.32 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 4.0 m -134.22 155.65 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.85 160.65 29.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -125.39 130.2 51.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 39' ' ' LEU . 6.0 tp -127.13 140.65 52.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.8 m -120.98 128.61 52.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 37' ' ' LEU . 7.5 mp -127.88 137.52 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -90.28 99.72 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' MET . 1.1 p -128.37 138.96 52.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.41 55.06 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 48.1 25.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . 11.5 ptt? -153.02 148.65 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.77 138.83 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -130.49 147.65 52.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.39 146.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 21.2 m-85 -122.27 135.5 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.28 112.83 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.8 mt -96.56 150.77 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . -112.76 -108.94 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -121.66 -50.05 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -65.83 -34.71 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -61.69 -38.67 88.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.5 mt -70.23 -45.35 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -48.49 -31.49 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -74.22 -47.92 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mt -57.62 -15.88 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -91.42 -56.11 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -45.49 -31.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -113.39 -4.66 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm 52.93 49.5 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.17 131.05 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -131.43 -179.09 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.22 151.45 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -27.68 18.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.63 171.97 9.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -115.19 122.65 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.37 147.52 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 81' ' ' LEU . 21.5 p -101.64 165.19 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 54.7 mt -134.31 107.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -89.2 101.2 13.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -64.33 -41.73 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' CB ' ' OE2' ' A' ' 12' ' ' GLU . . . -48.07 -49.4 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -100.08 -9.53 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.5 36.0 92.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -121.93 156.09 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -111.4 129.38 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -115.24 152.8 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -106.38 139.28 41.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 70' ' ' THR . 0.3 OUTLIER -123.15 145.12 48.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' LEU . . . -34.0 -81.17 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -169.2 172.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -57.79 130.33 45.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.24 -66.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.7 m -63.07 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -116.47 -18.42 10.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 42.25 42.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -65.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.0 p -91.27 169.87 10.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.1 -171.93 15.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.54 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 151.86 69.54 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t -106.91 132.09 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 m -96.45 152.13 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.406 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -156.1 176.83 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -103.97 146.77 28.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.09 52.99 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -159.67 139.52 11.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -144.24 129.75 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.4 72.15 0.83 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -144.85 156.42 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.705 0.288 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.12 119.48 12.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -170.74 142.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -147.75 160.89 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -127.47 26.59 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -136.13 141.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -144.3 123.31 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -112.84 135.99 52.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.33 169.3 32.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.55 113.26 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' HD12 ' A' ' 21' ' ' ILE . 60.3 t -48.3 114.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.8 t -99.93 -44.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -157.24 150.2 23.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 18' ' ' VAL . 55.0 mt -140.35 118.93 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.91 152.13 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp -140.7 121.96 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -95.68 118.82 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -78.93 154.28 77.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 136.06 32.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' THR . . . -45.82 168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ALA . 35.3 p -34.67 107.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.96 -141.88 13.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 p -134.32 148.07 50.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.98 -127.29 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -109.72 170.93 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.932 0.396 . . . . 0.0 110.804 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -121.56 131.51 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 3.0 m -132.31 121.07 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.27 169.18 14.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' CE ' HG21 ' A' ' 47' ' ' ILE . 2.4 mtpm? -127.51 125.79 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 12.9 tp -119.74 144.64 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.5 m -129.58 112.21 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 7.4 mp -111.92 144.68 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -99.98 99.65 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.0 t -135.52 150.48 49.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m 59.47 54.2 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 47.36 25.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' THR . 3.6 ptt? -156.38 168.32 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -115.46 127.76 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.468 HG21 ' CE1' ' A' ' 48' ' ' TYR . 22.5 m -111.79 138.68 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG21 ' CE ' ' A' ' 36' ' ' LYS . 4.7 mp -95.05 116.3 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 46' ' ' THR . 56.4 m-85 -106.78 127.58 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -79.17 128.0 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -102.08 149.33 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.42 -121.96 5.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -105.73 -44.69 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.83 -50.08 46.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 mtt -42.94 -49.83 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.99 -51.95 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -40.45 -31.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -80.49 -44.24 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.73 -18.76 64.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.4 p -86.37 -44.57 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.2 -37.28 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.5 5.23 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 40.26 54.28 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.67 130.75 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.36 164.01 23.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.54 149.56 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.34 -36.77 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.66 172.02 13.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.2 111.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -111.08 171.63 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -122.55 172.75 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.8 mt -141.09 115.3 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -100.46 105.49 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ALA . 39.6 mttp -67.88 -37.75 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.21 -54.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -111.98 -25.97 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.14 27.87 10.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -106.12 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 79' ' ' SER . 20.8 mt -120.16 136.23 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 78' ' ' ILE . 1.2 t -117.53 153.42 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.96 141.08 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 mt -124.87 45.9 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.1 -145.31 34.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -94.02 -11.01 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.847 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -174.81 145.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -94.71 99.97 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.3 m -65.75 120.71 13.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 173.18 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.92 94.69 5.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -129.42 126.17 38.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.9 p -88.53 113.17 23.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.3 171.41 43.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 179.21 3.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -147.31 135.46 21.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -58.28 87.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -155.12 169.54 23.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -107.39 145.85 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.29 -129.32 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -158.1 171.73 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -82.82 166.76 18.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.48 -105.68 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -55.33 124.49 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -111.81 118.96 37.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -174.02 135.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 p -117.53 108.22 15.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -111.99 30.48 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -141.51 128.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.0 116.18 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.57 140.13 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 165.98 33.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.02 107.02 13.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' HD11 ' A' ' 21' ' ' ILE . 48.9 t -43.04 106.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -86.92 -52.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 4.6 tp10 -153.88 148.65 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 HD11 ' CG1' ' A' ' 18' ' ' VAL . 78.5 mt -133.14 129.36 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -136.77 151.32 49.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 24' ' ' ASP . 2.5 mp -137.66 140.04 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' HG22 ' A' ' 23' ' ' ILE . 1.3 m-20 -110.94 124.86 52.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -93.69 144.02 27.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.36 64.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.57 -53.32 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -71.91 168.67 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.8 -83.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.8 m -81.3 121.71 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.24 -153.85 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.3 p -134.78 173.99 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -123.33 133.86 54.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 5.0 m -132.54 116.1 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.69 156.55 15.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -116.8 117.94 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 6.3 tp -113.79 146.67 39.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -131.28 115.72 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.65 138.82 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 36.9 ttmt -89.72 100.1 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -130.06 136.29 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 m 64.38 54.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 48.15 25.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -156.66 152.7 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 26.7 mt-10 -103.17 140.27 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -128.03 135.16 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.03 127.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.17 121.76 44.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -62.33 114.15 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 79.7 mt -90.15 122.0 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.13 171.21 38.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 m -53.4 -35.4 60.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -45.67 52.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 mtt -53.95 -47.89 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mt -57.25 -50.91 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -46.61 -23.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 m -89.11 -38.45 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.83 -15.54 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 p -89.13 -38.19 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -66.07 -37.06 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -2.64 52.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 mttt 53.97 33.64 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.0 138.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -141.78 165.12 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 145.85 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.65 29.83 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.73 170.96 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.3 112.16 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.84 154.54 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.429 HG23 ' CD1' ' A' ' 81' ' ' LEU . 41.4 p -104.17 166.17 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.3 mt -136.07 112.67 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -95.17 105.62 17.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -70.06 -27.22 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.48 16.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -110.97 -16.51 13.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 84.74 29.08 30.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.49 158.26 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.1 mt -127.43 126.62 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -112.75 153.46 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -102.75 139.96 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.429 ' CD1' HG23 ' A' ' 70' ' ' THR . 2.1 mt -125.05 -45.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.51 -78.3 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.5 p -82.84 153.16 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 87' ' ' ARG . 96.6 m-85 -70.99 141.23 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.5 p -141.26 126.62 18.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -160.51 151.64 19.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.26 144.82 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -66.25 -39.9 89.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -154.76 157.98 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.43 137.52 37.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.1 2.99 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.2 p -151.09 156.48 41.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -140.54 151.27 44.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -70.02 92.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -53.02 176.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.06 57.87 4.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -156.16 167.86 29.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -163.58 122.48 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -98.6 -90.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -57.26 81.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . 9.9 tt0 -62.0 108.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -90.43 121.79 32.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 m -95.18 28.81 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 33.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -145.04 140.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -132.63 114.19 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.07 141.88 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.91 174.79 41.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -90.05 119.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.74 108.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.4 t -92.33 -53.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -149.95 141.83 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.54 100.25 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -89.04 155.84 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm -131.32 120.77 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.4 t70 -93.21 104.72 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -44.48 149.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ALA . 53.6 Cg_endo -69.69 2.33 3.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.713 2.275 . . . . 0.0 112.347 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . -34.92 -42.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -75.81 121.02 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' THR . . . -56.59 -45.4 90.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 38.7 p -34.3 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.94 150.85 20.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 m -93.28 -19.03 21.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.969 0.414 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.03 136.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 11.5 m -155.35 162.55 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.27 151.85 23.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -112.62 118.1 34.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 10.3 tp -110.41 138.08 47.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.409 HG21 ' CD ' ' A' ' 45' ' ' GLU . 53.0 m -126.79 125.28 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mp -116.1 152.07 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -89.97 101.02 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.6 OUTLIER -91.05 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 43' ' ' GLU . 93.8 m -37.62 116.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 42' ' ' THR . 13.6 mt-10 31.79 41.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 41' ' ' THR . 2.0 ptm -167.48 158.75 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CD ' HG21 ' A' ' 38' ' ' THR . 3.8 tt0 -123.76 117.07 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 m -105.49 150.64 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.42 116.99 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.663 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 15.2 m-85 -97.05 142.32 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.48 128.39 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 37' ' ' LEU . 13.7 mt -99.1 119.01 37.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.33 168.75 35.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -52.37 -19.25 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.365 . . . . 0.0 111.136 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -93.71 -35.62 12.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.1 mtt -63.95 -44.88 91.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.42 -47.46 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.26 -21.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -91.64 -36.29 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.27 -11.56 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.3 p -90.25 -43.42 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 18.3 pttp -63.71 -35.08 79.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 63.3 m-20 -102.27 6.22 40.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt 38.03 47.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -55.37 125.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -121.47 169.9 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 163.38 11.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.21 -25.77 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.36 171.82 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -115.96 118.78 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.84 159.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 81' ' ' LEU . 18.7 p -115.82 160.38 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.663 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 20.4 mt -135.41 110.83 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.2 t70 -92.08 105.35 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -65.77 -28.57 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.6 -58.58 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -87.98 -11.76 46.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.72 31.46 80.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -118.19 157.31 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 79' ' ' SER . 33.1 mt -120.57 139.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 78' ' ' ILE . 14.2 m -132.08 151.95 51.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.11 143.06 29.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 70' ' ' THR . 0.1 OUTLIER -128.04 149.3 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.11 -50.23 6.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -170.79 172.62 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -82.3 135.23 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -112.72 137.13 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -137.27 161.93 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -115.18 156.81 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.63 132.15 35.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -129.82 90.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.9 m -40.24 134.21 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -43.57 142.55 2.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 161.01 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -98.33 138.09 36.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.2 -153.66 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -171.16 164.03 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -98.89 -46.0 5.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.32 -86.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -88.4 121.77 31.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -168.88 114.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.88 101.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 m -58.67 122.06 12.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -86.21 30.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 14' ' ' ILE . 25.3 mt -144.01 138.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.5 mt -136.81 120.59 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -108.37 140.59 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.38 173.43 36.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.59 109.03 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 67' ' ' ASP . 60.4 t -50.64 113.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.36 -53.07 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -142.94 143.61 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.2 mt -131.87 96.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -84.27 142.96 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mm -140.2 117.77 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -103.43 109.8 21.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -64.78 149.81 95.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.41 50.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.64 174.2 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -73.11 115.53 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.96 -119.34 1.91 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.6 p -132.1 140.22 48.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 170.09 177.77 40.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -122.21 141.66 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.412 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' HG12 ' A' ' 34' ' ' VAL . 55.6 mttm -58.51 148.04 29.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 33' ' ' LYS . 24.7 m -140.1 146.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.38 154.92 26.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -129.59 119.07 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.358 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.9 143.65 44.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.0 m -130.89 118.82 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.67 138.12 48.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -89.96 100.93 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.5 p -95.59 169.82 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' GLU . 84.0 m -37.81 111.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' THR . 14.4 mm-40 34.45 42.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -165.94 132.27 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -112.45 115.72 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -107.55 135.24 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.4 mt -103.3 109.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -92.25 139.85 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -85.09 158.07 20.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -131.1 161.34 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -123.81 -125.85 3.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.0 m -101.95 -41.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -77.03 -46.91 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.4 mtt -51.37 -35.35 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 81.5 mt -69.46 -49.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.44 -27.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -76.52 -40.57 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.45 -14.1 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.1 p -93.89 -40.57 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -30.63 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 5.4 m-20 -105.0 3.71 30.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt 43.27 49.3 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.97 131.83 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -130.27 170.16 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 148.11 43.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.62 -35.05 5.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -88.87 130.47 35.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.46 113.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -112.33 149.56 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.422 HG23 ' CD1' ' A' ' 81' ' ' LEU . 41.3 p -99.62 169.56 9.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.2 mt -142.14 109.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.6 t0 -90.58 106.0 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -67.16 -31.86 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.11 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -93.92 -14.28 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.3 32.26 81.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.66 153.02 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.4 mt -113.63 127.91 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 m -121.31 134.12 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -90.15 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' CD1' HG23 ' A' ' 70' ' ' THR . 2.1 mt -121.75 -46.92 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.71 -125.11 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.23 133.95 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.5 p -72.52 90.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 17.8 p90 -61.4 120.5 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -151.02 174.04 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.71 145.93 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.31 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -117.92 135.41 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -96.04 -57.36 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.89 145.97 47.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.51 17.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -50.71 120.69 4.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -53.8 138.87 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m -39.26 107.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -76.23 103.06 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.58 -68.12 1.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -96.54 110.05 22.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -101.98 131.98 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.22 -110.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -117.52 143.7 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -86.62 98.42 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -133.37 128.67 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 12' ' ' GLU . 16.5 m -106.64 155.89 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' N ' HG22 ' A' ' 11' ' ' THR . 1.3 mp0 -86.65 35.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.2 mt -144.94 144.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -144.15 128.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -110.55 138.46 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.63 162.13 30.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.03 106.63 14.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG1' HD12 ' A' ' 21' ' ' ILE . 97.1 t -46.59 108.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 t -93.47 -53.09 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.64 147.81 38.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.441 HD12 ' CG1' ' A' ' 18' ' ' VAL . 88.7 mt -134.04 105.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -103.86 140.77 37.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.37 109.79 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.43 107.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -81.31 144.14 53.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.46 7.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.4 m -141.33 152.41 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 150.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -100.97 145.86 28.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.87 -106.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.1 m -146.22 121.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -44.95 138.75 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -138.06 154.04 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.89 168.34 36.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -129.94 144.83 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 10.5 tp -138.59 141.58 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 m -122.7 130.81 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 9.1 mp -131.65 128.36 38.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.48 115.35 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 43' ' ' GLU . 13.2 p -85.68 169.72 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -44.43 -20.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 41' ' ' THR . 13.0 mt-10 -113.91 -76.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -127.3 177.15 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.61 163.28 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 47' ' ' ILE . 85.7 m -150.31 138.52 20.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.438 ' N ' HG22 ' A' ' 46' ' ' THR . 62.3 mt -82.87 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -120.62 116.81 26.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -62.18 114.57 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt -97.69 149.27 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.19 -118.0 3.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -109.94 -54.44 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -60.89 -39.38 89.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.7 mmt -54.47 -50.02 68.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.31 -44.46 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -44.52 -26.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -87.86 -41.43 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -14.63 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 p -92.05 -44.87 8.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -43.94 94.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.1 m-20 -91.95 9.59 32.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 36.59 51.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.24 143.85 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -150.14 -179.49 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 138.86 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.36 -31.19 6.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.04 130.99 44.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.866 0.365 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.0 t -79.96 113.48 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 69' ' ' ILE . 2.7 pp -111.0 161.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.405 ' CG2' HD11 ' A' ' 81' ' ' LEU . 15.5 p -112.67 169.42 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.27 107.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.7 t0 -97.1 107.93 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -65.02 -39.84 94.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.12 -59.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -105.75 -19.2 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 82.86 28.99 36.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -100.01 153.35 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mt -122.89 117.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -106.64 153.23 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -103.1 138.68 39.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD11 ' CG2' ' A' ' 70' ' ' THR . 2.1 mt -119.79 159.17 25.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.79 -117.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -110.12 116.34 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.1 t -87.82 81.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 11.2 p90 -141.5 112.12 7.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -102.04 152.69 20.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -106.68 103.68 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -170.2 119.54 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -71.62 156.86 38.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.5 t -140.37 158.41 44.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.75 -83.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -82.83 90.22 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t -42.69 106.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -162.98 152.2 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -113.34 -24.66 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.86 121.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 66.3 m -138.61 137.79 37.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 8.3 t -35.47 145.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.86 -168.17 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HE2' ' N ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.4 -12.89 44.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LYS . 60.3 mm-40 35.26 45.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -109.43 46.66 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLU . 2.0 m 37.9 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -83.86 35.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.91 130.13 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.59 113.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 0.8 OUTLIER -114.7 166.21 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.35 168.14 40.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -82.54 104.66 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -49.87 129.32 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.34 -47.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.29 138.17 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.1 mt -130.63 110.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -103.9 147.08 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mm -139.02 117.18 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.01 129.16 40.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -87.45 143.69 34.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.55 12.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.35 -179.64 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -71.32 -15.36 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.43 -89.4 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -155.71 141.73 18.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.66 130.4 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 158.89 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.988 0.423 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -78.23 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.5 138.37 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.05 146.04 17.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 36' ' ' LYS . 4.0 tmmm? -111.38 120.91 43.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -115.38 130.58 56.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.429 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 89.5 m -119.33 122.86 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -113.47 147.37 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -99.44 100.01 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' THR . 4.1 p -92.14 169.56 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' THR . 1.4 t -33.31 109.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' THR . 9.9 mm-40 35.66 48.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.522 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -167.09 164.54 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -138.62 133.59 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -129.88 146.72 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -111.6 110.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -91.67 117.04 29.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -66.3 131.72 46.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.2 126.3 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.54 -124.0 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.8 m -114.01 -34.99 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -80.72 -43.36 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.4 mtt -53.62 -37.96 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . 61.3 mt -67.1 -52.71 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -39.73 -27.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m -85.69 -45.76 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.12 -11.75 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -93.45 -44.08 8.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -64.54 -23.37 67.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 63' ' ' VAL . 12.5 p30 -106.28 0.37 25.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 46.6 42.72 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 61' ' ' ASP . 92.8 t -55.9 146.18 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' N ' HG12 ' A' ' 63' ' ' VAL . 41.5 mt-30 -154.05 175.87 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.79 140.3 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.92 -28.23 10.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.65 172.06 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.4 t -119.19 113.44 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.409 HG22 ' CG ' ' A' ' 80' ' ' LYS . 2.5 pp -112.71 154.59 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 15' ' ' GLU . 28.2 p -107.34 166.31 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -135.98 112.11 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 t0 -96.4 105.95 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -68.11 -36.59 80.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.74 -53.9 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -107.84 -37.46 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 102.14 33.17 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -107.72 153.1 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.6 mt -120.5 128.18 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.2 m -119.87 153.08 36.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' CG ' HG22 ' A' ' 69' ' ' ILE . 7.2 mtpm? -98.53 143.12 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mt -118.2 -51.28 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.37 -69.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -132.65 168.71 17.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.2 p -110.24 -59.22 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 64.37 37.75 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.4 m -127.27 111.79 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -142.9 133.21 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.57 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.65 -46.38 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -164.47 130.25 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.6 145.95 5.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -40.23 5.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.0 m -43.26 -72.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -72.9 156.92 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -43.31 -49.08 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -76.17 96.25 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.57 103.39 2.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -152.21 161.32 42.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -84.03 94.54 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.9 174.41 26.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 42.14 25.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -133.25 98.81 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -133.08 145.71 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 p -38.33 129.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 13' ' ' ILE . 6.1 mp0 -82.34 43.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 12' ' ' GLU . 5.7 mm -144.77 133.67 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.453 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 1.7 mm -118.23 154.11 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -149.61 118.51 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.78 162.55 30.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 42.6 tt0 -83.14 103.98 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLU . 19.9 t -36.91 106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -90.46 -52.62 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -146.98 147.31 30.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -133.06 97.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -98.78 155.62 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -126.39 117.3 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 14.0 t0 -72.2 134.04 45.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -95.27 142.96 25.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.44 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.8 -57.95 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 t -46.28 -43.68 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' THR . . . 150.61 -39.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 25.5 p -36.39 120.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.44 -72.11 1.02 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -49.53 153.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 19.1 tptt -78.9 134.12 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 23.9 m -139.34 148.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 50' ' ' LEU . . . -143.02 166.86 26.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -124.0 118.19 26.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 39' ' ' LEU . 11.4 tp -116.03 145.15 43.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -126.81 124.93 40.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 37' ' ' LEU . 7.1 mp -128.26 138.21 52.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 28.5 ttmt -89.87 100.69 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 44' ' ' MET . 2.1 p -130.08 138.04 50.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m 62.42 49.72 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 52.19 24.94 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 41' ' ' THR . 5.1 ptt? -154.54 143.21 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 28.3 mt-10 -96.48 132.64 41.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 47' ' ' ILE . 69.8 m -125.84 138.71 53.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' N ' HG21 ' A' ' 46' ' ' THR . 4.0 mp -87.37 133.99 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CZ ' HG21 ' A' ' 14' ' ' ILE . 95.9 m-85 -116.88 122.81 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -60.16 118.98 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' HB2' ' CA ' ' A' ' 35' ' ' GLY . 70.3 mt -88.49 121.98 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.15 159.76 26.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -44.79 -30.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.86 -51.46 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.2 mtt -46.76 -50.79 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 33' ' ' LYS . 92.6 mt -52.46 -53.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -41.92 -28.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t -80.99 -52.33 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.67 -11.16 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 p -91.55 -47.9 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -55.14 -40.05 70.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.71 9.17 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 38.02 39.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.1 t -38.4 127.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -120.84 161.63 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.49 155.76 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.48 -28.29 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.1 165.71 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -114.82 112.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -115.21 149.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.7 p -102.86 166.67 10.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.34 108.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.3 t0 -91.62 105.16 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -68.18 -38.53 82.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.14 -57.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 t -108.0 -14.27 14.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 79.65 30.87 42.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -101.98 155.62 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.7 mt -121.83 123.23 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.7 m -110.75 153.14 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -107.38 138.7 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt -116.41 -51.33 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 121.24 164.59 12.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 27.2 ttt85 -34.71 149.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 t -83.13 95.25 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -93.01 126.83 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -158.6 146.43 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 5.5 mmm180 -73.0 147.63 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.66 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -86.57 115.53 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -40.84 -52.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.47 146.02 18.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 144.45 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.739 2.292 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t 60.8 44.65 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 m -99.17 119.67 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.457 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -115.09 177.32 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -126.46 -44.82 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.2 101.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -125.2 104.33 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -96.51 167.77 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 -82.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -146.91 148.3 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 130.65 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.07 146.59 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.7 p -121.58 112.45 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.57 39.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 14' ' ' ILE . 23.1 mt -143.99 140.87 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' N ' HG21 ' A' ' 13' ' ' ILE . 1.8 mt -137.5 120.5 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.37 123.29 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.08 165.98 27.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.62 108.61 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG1' HD11 ' A' ' 21' ' ' ILE . 11.9 t -42.3 107.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 HG22 ' CD ' ' A' ' 45' ' ' GLU . 60.1 t -90.46 -46.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -152.94 152.32 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.431 HD11 ' CG1' ' A' ' 18' ' ' VAL . 52.5 mt -140.6 109.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -114.33 153.98 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -127.73 109.01 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.9 t70 -75.31 104.57 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -97.14 136.85 21.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.17 34.81 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 106.31 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 m 55.37 41.11 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.75 116.21 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.9 m -79.85 108.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.354 . . . . 0.0 111.106 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.66 179.6 40.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.6 p -46.65 164.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.935 0.398 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -119.84 143.91 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 4.1 m -132.65 147.92 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.79 150.9 21.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -105.37 121.73 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 5.5 tp -113.92 145.89 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -130.31 122.91 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.6 mp -122.3 139.16 54.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -89.77 100.92 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 44' ' ' MET . 47.7 p -122.37 147.68 45.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.6 m 47.51 47.17 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 56.47 25.04 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 41' ' ' THR . 7.8 ptt? -149.16 136.87 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' HG22 ' A' ' 19' ' ' VAL . 14.9 mt-10 -92.34 132.9 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 47' ' ' ILE . 99.2 m -127.41 138.7 53.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 46' ' ' THR . 66.9 mt -82.86 144.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 118.37 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.67 117.98 7.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 63.4 mt -97.13 120.21 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' THR . . . -86.92 162.49 34.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.524 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' GLY . 92.8 m -36.62 -61.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.2 pttp -51.57 -58.94 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' LYS . 11.2 mtt -37.44 -48.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' SER . 94.8 mt -57.74 -49.72 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -39.68 -29.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.0 t -79.71 -49.9 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.58 -13.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 p -91.91 -50.1 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -48.14 -43.45 31.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 8.2 t0 -101.12 -1.56 33.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt 51.62 44.73 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 69' ' ' ILE . 77.9 t -50.71 138.2 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.439 ' N ' HG11 ' A' ' 63' ' ' VAL . 11.5 mt-30 -136.79 178.63 6.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.83 147.98 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.35 -18.79 55.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.499 ' OD2' ' CE ' ' A' ' 80' ' ' LYS . 1.4 m-20 -96.29 170.69 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.92 113.74 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' HG12 ' A' ' 63' ' ' VAL . 2.1 pp -118.67 168.31 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.5 p -121.13 170.75 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -142.93 109.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.9 t70 -89.29 106.45 18.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -70.28 -29.98 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.68 -48.24 77.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -98.71 -13.19 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.36 27.11 72.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -113.73 153.0 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.9 mt -114.05 133.46 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -122.56 150.46 42.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CE ' ' OD2' ' A' ' 67' ' ' ASP . 83.9 tttt -105.97 136.45 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -112.3 -48.93 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 112.95 177.74 19.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' GLY . 17.1 tpt180 -37.84 118.62 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 t -54.06 148.46 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -70.2 -60.08 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.3 m -58.56 131.49 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -104.72 123.63 47.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.4 94.73 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ttt85 -94.23 81.23 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.2 m -109.64 170.45 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.79 -162.36 31.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 87.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -131.33 99.88 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -85.93 131.09 34.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -107.73 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -119.9 121.07 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.58 -174.66 14.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -99.7 160.75 14.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -122.47 145.21 48.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.28 138.87 14.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -52.05 -47.32 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -109.38 44.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -143.39 122.62 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -88.93 -7.04 56.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 61.07 42.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 14' ' ' ILE . 29.4 mt -144.79 140.36 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.449 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.0 mt -132.51 121.24 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -115.18 143.19 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -162.14 174.79 38.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -89.84 105.6 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 21' ' ' ILE . 50.7 t -39.34 105.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.81 -55.02 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -142.61 143.2 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 18' ' ' VAL . 81.8 mt -129.11 95.17 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.34 142.21 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.54 132.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' CB ' HG23 ' A' ' 34' ' ' VAL . 9.7 t70 -95.15 130.18 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -98.68 149.33 35.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' CB ' ' HA ' ' A' ' 30' ' ' THR . 53.7 Cg_endo -69.75 -9.61 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.41 -55.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -94.32 -55.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.39 73.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.41 ' HA ' ' CB ' ' A' ' 26' ' ' PRO . 9.0 t -68.5 148.28 50.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.98 -106.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.4 p -92.63 119.1 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' HG13 ' A' ' 34' ' ' VAL . 23.1 mtmm -57.02 139.73 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.408 HG13 ' C ' ' A' ' 33' ' ' LYS . 25.9 m -145.52 140.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 162.25 29.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -120.9 150.19 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.6 tp -137.82 145.83 42.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.487 ' CG2' ' OE2' ' A' ' 45' ' ' GLU . 58.1 m -127.74 127.94 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.5 mp -131.41 129.25 41.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' CA ' ' HG3' ' A' ' 45' ' ' GLU . 32.4 ttpt -94.84 101.39 13.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 44' ' ' MET . 7.9 t -132.53 152.57 51.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 m 45.74 54.99 7.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 45.92 25.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' THR . 2.3 ttp -145.17 121.42 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 38' ' ' THR . 15.4 tt0 -99.69 114.42 27.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 m -105.84 149.77 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.6 mt -102.12 104.26 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 9.7 m-85 -83.77 131.2 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.9 136.27 33.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -108.2 172.81 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.82 -102.64 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.7 m -124.96 -47.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -39.87 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 mtt -61.61 -47.12 86.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.53 -45.05 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.62 -28.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.6 m -83.59 -47.2 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -55.9 -13.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -90.3 -41.62 11.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -57.28 -49.58 75.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.43 -0.69 57.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.57 49.88 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.81 150.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -153.93 166.88 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.05 142.76 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.99 -29.51 11.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.2 m-20 -94.05 156.35 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.3 t -103.4 115.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -115.2 142.74 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.411 ' C ' HG13 ' A' ' 71' ' ' ILE . 17.5 p -95.46 166.67 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 22.1 mt -141.37 109.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -88.17 106.8 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -65.4 -38.05 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.21 85.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.1 p -90.89 -12.11 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 56.7 36.45 71.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -122.46 158.05 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.2 mt -118.12 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -113.63 138.52 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.7 137.82 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -119.28 178.83 4.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.959 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.06 -87.81 1.07 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -132.55 126.83 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -62.52 164.29 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -49.29 -43.79 43.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -60.43 168.43 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -73.36 94.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.72 162.21 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -37.44 135.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.3 p -155.69 129.13 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.56 173.01 45.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -3.48 12.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.352 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -44.56 144.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 p -61.42 176.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -107.13 43.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 p -129.62 168.74 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.52 57.64 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -85.46 158.04 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 140.82 49.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.11 42.51 5.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -48.21 -42.4 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -51.68 151.27 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -156.59 -179.58 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p -84.56 179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 61.69 32.94 18.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -144.38 140.54 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.63 133.91 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -114.33 146.28 40.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.49 159.85 33.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -80.76 109.69 15.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' CG2' ' CG1' ' A' ' 69' ' ' ILE . 50.0 t -51.86 124.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.82 -47.53 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -144.1 137.56 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -128.84 96.22 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -89.93 139.99 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.37 97.39 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.49 115.67 16.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -71.39 143.93 88.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 156.38 63.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 0.0 112.393 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.63 28.8 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -151.5 166.88 29.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.16 65.68 3.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 m -147.92 137.82 22.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 111.097 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.13 46.25 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -112.74 110.25 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -107.3 160.15 15.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -149.06 154.25 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.57 169.68 37.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' CE ' ' CG2' ' A' ' 47' ' ' ILE . 11.0 mtpt -129.65 119.14 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tp -111.41 139.23 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -128.22 122.18 31.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 138.18 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -90.16 100.58 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' MET . 40.6 p -92.25 170.08 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' GLU . 95.5 m -38.71 114.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' THR . 4.6 mp0 33.42 40.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -164.32 144.46 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -116.83 137.99 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -121.27 151.89 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' CG2' ' CE ' ' A' ' 36' ' ' LYS . 5.3 mp -123.41 104.52 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -92.61 138.74 31.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.28 120.26 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.0 mt -89.12 156.08 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.8 -127.89 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 m -101.66 -40.98 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -75.28 -44.49 45.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -53.81 -43.45 69.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' LEU . 83.0 mt -62.67 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.75 -28.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -84.94 -37.86 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.6 mt -71.8 -21.99 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -90.67 -48.77 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -29.76 17.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -112.55 -11.69 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mptt 63.75 38.55 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -46.76 138.2 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -141.09 163.68 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.83 138.93 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.24 -36.03 4.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.37 132.94 35.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.2 t -79.98 112.93 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.406 ' CG1' ' CG2' ' A' ' 18' ' ' VAL . 2.7 pp -109.61 155.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 p -106.32 164.91 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.59 109.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' GLY . 5.4 t0 -92.19 105.22 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -70.78 -33.22 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.52 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -107.5 -23.92 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 90.69 27.29 20.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -108.71 154.93 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 79' ' ' SER . 32.8 mt -116.18 138.25 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 78' ' ' ILE . 51.7 m -124.92 132.75 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -90.24 138.29 31.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.21 -57.59 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.27 152.43 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -39.09 119.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -105.77 98.43 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -88.47 176.77 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.9 t -174.04 163.46 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -43.18 157.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.28 150.67 29.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -98.43 87.74 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -57.17 119.87 7.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.97 -179.09 28.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 95.96 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.242 . . . . 0.0 112.297 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 m -53.23 163.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -53.21 108.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.534 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 61.9 p 37.59 42.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -118.83 105.62 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.49 120.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -133.95 42.93 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -107.5 -56.42 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.04 40.29 0.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 84.89 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -137.13 118.68 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.43 168.49 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -92.09 -14.6 28.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 74' ' ' ALA . 11.1 mt-10 63.28 35.87 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 14' ' ' ILE . 22.3 mt -144.95 139.17 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.436 ' N ' HG21 ' A' ' 13' ' ' ILE . 2.5 mt -136.39 125.57 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -113.98 144.08 43.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' N ' ' OE1' ' A' ' 15' ' ' GLU . . . -165.03 164.52 37.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -81.1 118.03 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 67' ' ' ASP . 34.1 t -60.13 124.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.4 t -111.96 -49.99 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -142.25 142.22 32.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 37' ' ' LEU . 96.7 mt -134.05 97.03 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.34 138.4 35.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mm -138.34 114.15 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.49 128.92 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -103.39 147.28 33.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 133.13 24.76 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.8 -58.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -108.53 -41.81 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.43 111.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -115.15 -58.95 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.23 -75.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.0 m -107.05 149.48 27.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' C ' HG11 ' A' ' 34' ' ' VAL . 3.9 ttmm -74.84 140.19 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG11 ' C ' ' A' ' 33' ' ' LYS . 9.9 m -135.46 145.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.7 158.3 28.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -119.24 148.73 42.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' A' ' 21' ' ' ILE . 3.1 tp -137.68 135.27 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 85.7 m -122.39 123.42 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.7 134.1 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -89.84 99.94 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.7 OUTLIER -91.04 169.67 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' GLU . 91.1 m -38.7 113.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' THR . 2.6 mm-40 33.9 40.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.7 ttp -167.08 141.41 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 4.4 tt0 -120.22 134.69 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -126.71 153.13 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mt -113.61 140.16 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.97 139.86 53.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.0 143.46 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.29 129.05 50.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.62 -121.17 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -108.26 -44.52 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -74.0 -37.25 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -60.65 -33.15 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.17 -40.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -53.83 -20.97 6.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 -45.79 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.55 -28.43 63.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.7 p -79.04 -46.83 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -49.4 -53.23 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.69 0.96 55.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 50.93 40.4 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.7 t -46.38 129.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -129.98 164.25 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.49 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.8 -39.69 2.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.494 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 17.1 m-20 -82.86 143.37 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.81 112.58 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 69' ' ' ILE . 2.1 pp -111.8 145.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 p -98.61 163.48 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mt -135.86 106.92 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t0 -83.28 107.45 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -75.11 -35.47 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB3' ' CD ' ' A' ' 12' ' ' GLU . . . -65.03 -30.11 71.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 p -113.56 -10.39 13.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.94 41.65 99.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -120.62 158.21 27.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.42 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 84.0 mt -124.02 115.75 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -109.52 151.93 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -109.31 139.99 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mt -125.02 159.2 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.57 -91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -157.37 123.65 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 m -100.11 88.56 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -100.54 -56.34 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.7 t -70.14 140.5 52.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.74 52.04 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.48 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -55.05 141.84 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 p -154.86 164.63 38.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.42 156.58 31.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.3 22.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.1 p 40.61 42.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -82.08 144.67 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.9 p -102.89 120.04 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -143.32 159.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.56 -73.37 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -51.26 136.62 24.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -57.82 140.22 52.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.09 38.5 0.74 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -129.92 159.56 36.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -114.54 169.5 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 11.9 pt-20 34.57 55.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -98.04 144.31 27.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -92.89 33.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.1 mm -137.65 128.06 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -122.72 135.09 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -125.47 138.63 54.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' CA ' HD22 ' A' ' 39' ' ' LEU . . . -162.25 170.21 37.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -87.6 103.63 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.2 t -41.72 125.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.93 -50.52 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.61 134.67 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.8 mt -126.78 95.01 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -82.2 139.31 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -134.94 100.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.47 128.71 36.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -87.85 143.86 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.45 40.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.26 -61.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -66.13 155.22 37.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.54 -86.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -71.25 69.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.39 146.84 18.16 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.9 m -114.04 145.68 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' CD1' ' A' ' 55' ' ' ILE . 29.4 tptt -69.26 134.01 48.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.14 147.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.21 170.55 37.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -127.47 142.11 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 71' ' ' ILE . 6.1 tp -125.33 132.51 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 m -118.55 126.36 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CA ' ' A' ' 16' ' ' GLY . 9.7 mp -120.56 137.55 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -89.95 101.95 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' THR . 30.9 p -94.48 169.49 10.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.5 m -34.62 108.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' THR . 6.8 mp0 37.93 46.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.539 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 1.8 ttt -167.12 165.58 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -134.0 112.65 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.4 m -99.01 152.69 19.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -124.12 138.22 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -126.51 138.68 53.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -89.94 132.38 35.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.29 137.08 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.86 -106.37 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -119.93 -29.76 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -85.07 -46.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -49.64 -37.98 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' CG ' ' A' ' 33' ' ' LYS . 88.4 mt -68.69 -50.55 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.04 -31.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 m -78.12 -49.96 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.62 -11.62 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -93.52 -50.07 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.3 ptmt -53.94 -30.72 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 2.7 t70 -114.26 7.31 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm 42.3 35.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -40.01 123.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -118.89 166.02 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.97 135.48 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.87 -35.36 3.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.35 168.15 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.7 t -113.94 104.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 69' ' ' ILE . 1.7 pp -114.28 145.94 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.465 HG22 ' CD1' ' A' ' 81' ' ' LEU . 81.2 p -100.07 173.08 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' A' ' 37' ' ' LEU . 77.9 mt -140.67 109.49 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -88.14 103.51 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -62.52 -37.96 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.97 -52.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.427 ' CG2' ' HG3' ' A' ' 77' ' ' LYS . 14.4 t -123.18 8.04 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.11 31.63 73.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' HG3' ' CG2' ' A' ' 75' ' ' THR . 12.6 mttm -97.33 144.54 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -111.13 132.86 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -124.59 142.79 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -94.7 140.74 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 70' ' ' THR . 2.0 mt -120.06 -47.12 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.85 169.05 14.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -41.8 151.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -80.76 106.49 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -94.47 149.24 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -154.14 143.34 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -102.86 97.83 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -158.21 150.38 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -139.79 118.97 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -77.18 -49.01 16.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.2 -160.8 22.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 83.81 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -95.38 97.37 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t 39.89 53.88 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -163.21 162.36 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -143.3 166.08 25.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.09 126.45 2.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -127.67 92.3 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -67.63 141.51 56.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.99 152.33 8.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -82.1 -61.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.73 142.14 49.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -106.64 134.83 49.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.2 p -78.17 120.26 22.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -122.41 26.03 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -139.39 148.65 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -147.34 125.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.4 138.15 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.59 165.15 33.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -80.72 104.1 11.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 21' ' ' ILE . 48.4 t -40.93 103.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.73 -52.14 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -153.17 146.21 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 18' ' ' VAL . 55.1 mt -127.41 95.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -91.58 149.0 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -134.15 106.8 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.94 123.62 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -81.98 147.7 58.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.721 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.05 40.99 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t 38.89 37.44 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.28 -101.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -124.47 120.78 33.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.32 -156.69 25.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -151.17 152.23 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.96 138.89 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 m -145.0 138.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' LEU . . . -155.36 145.9 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 27.2 mmtm -103.73 135.85 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 38' ' ' THR . 4.9 tp -121.92 150.06 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.555 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 41.2 m -131.04 129.63 42.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 mp -135.59 126.47 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -94.29 99.83 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 t -126.18 146.78 49.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.4 m 49.41 54.95 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 46.29 26.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 ttt -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 6.1 tt0 -98.82 132.77 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -123.44 137.96 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' CG2' ' HD2' ' A' ' 36' ' ' LYS . 61.8 mt -90.13 103.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.88 147.98 24.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.41 146.3 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' GLY . 25.2 mt -120.44 151.42 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -117.56 -128.78 4.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 m -99.23 -51.6 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.86 -48.98 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 mtt -53.35 -53.4 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 94.6 mt -59.97 -55.72 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -41.89 -24.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ILE . 22.9 t -83.33 -47.47 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.85 -10.8 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -93.02 -36.97 12.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -69.07 -32.38 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' CG ' HG23 ' A' ' 63' ' ' VAL . 1.6 p30 -94.74 -14.98 24.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.96 42.16 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' A' ' 61' ' ' ASP . 98.0 t -59.33 140.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -143.51 163.21 33.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.39 136.31 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.41 -31.94 5.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.7 166.09 13.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.88 112.32 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.24 149.97 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.3 p -98.27 173.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -144.13 106.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.5 t70 -92.56 107.13 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ALA . 25.4 mttm -68.11 -39.95 82.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -34.64 -54.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -112.07 -29.83 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 100.02 30.37 6.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -97.11 158.02 15.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.3 mt -132.79 118.54 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.8 m -108.13 153.98 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -99.24 142.98 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 mt -124.74 172.6 9.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' SER . . . -44.46 140.82 3.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -35.41 -32.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 82' ' ' GLY . 9.0 m -171.58 140.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -88.54 90.68 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -144.45 155.31 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -122.52 45.63 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.09 164.38 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -129.17 142.94 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -167.51 145.48 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.02 -100.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.31 5.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 m -116.73 -59.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.3 p -49.65 -54.52 18.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -60.15 122.33 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -153.34 106.5 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.94 148.91 18.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -106.21 105.32 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -173.96 115.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.02 89.02 1.05 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -45.5 106.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.23 128.44 36.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.18 121.8 31.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 p -84.33 -12.93 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 61.1 39.74 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 14' ' ' ILE . 31.7 mt -144.8 140.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.453 ' N ' HG22 ' A' ' 13' ' ' ILE . 3.2 mt -142.76 119.87 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 70' ' ' THR . 28.7 tt0 -107.53 152.39 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -170.84 167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -81.12 116.92 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.53 107.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 73.6 t -95.2 -54.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -138.36 142.12 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt -131.53 95.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -82.1 134.49 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mm -131.97 128.28 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.79 125.63 37.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.09 148.95 42.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' CB ' ' HA ' ' A' ' 30' ' ' THR . 53.6 Cg_endo -69.78 91.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.56 -46.61 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -98.66 37.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.77 85.06 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 26' ' ' PRO . 93.9 m -53.89 120.92 6.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.5 -137.25 4.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.0 t -45.57 116.81 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -85.29 147.28 26.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.72 142.91 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.77 170.79 34.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -124.46 158.16 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 39' ' ' LEU . 2.7 tp -141.49 129.35 21.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.7 m -113.76 121.59 44.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 37' ' ' LEU . 8.7 mp -114.47 129.93 56.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 26.7 ttmt -89.83 101.53 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' THR . 59.1 p -94.74 170.17 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 43' ' ' GLU . 89.7 m -33.56 108.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . 11.6 mt-10 33.42 46.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' THR . 2.3 ttt -167.72 133.94 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -114.53 149.91 35.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -148.72 145.68 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.24 121.38 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -99.1 143.17 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.01 133.28 34.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.79 141.44 46.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.15 -122.16 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.3 m -114.7 -20.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -41.47 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.45 -32.03 69.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.98 -39.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.34 -26.45 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.9 t -79.15 -56.68 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 5.5 mt -51.65 -17.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 -39.98 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -67.6 -20.4 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 58' ' ' LEU . 5.7 p30 -107.6 -13.42 15.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.7 33.13 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.84 141.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -138.08 161.26 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.2 138.34 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.48 23.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.22 166.41 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.2 t -109.88 104.81 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pp -113.57 144.16 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 15' ' ' GLU . 40.9 p -94.99 173.06 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.0 mt -143.79 107.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -90.29 106.71 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.96 -38.93 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.47 -60.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -104.1 -19.7 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 85.0 31.78 22.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -103.55 158.09 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.77 138.62 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -128.48 153.76 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -101.12 140.13 35.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.437 ' CD1' HG23 ' A' ' 70' ' ' THR . 1.8 mt -122.97 145.97 48.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.7 172.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -58.32 126.75 28.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 t -132.83 85.17 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -48.91 145.56 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -78.82 172.82 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -86.67 105.44 16.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.7 99.06 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -116.73 174.65 5.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.4 p -99.36 136.5 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.5 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -30.45 22.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m -105.5 140.77 38.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -60.74 -47.32 86.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.502 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -151.7 161.19 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -96.83 177.41 5.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.72 -158.71 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -111.83 113.52 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -148.54 106.33 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.92 -160.91 34.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -54.82 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -109.91 74.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -154.58 113.85 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 p -125.19 121.84 35.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.82 36.04 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 14' ' ' ILE . 57.1 mt -144.96 142.39 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.455 ' N ' HG21 ' A' ' 13' ' ' ILE . 2.9 mt -140.92 119.91 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -109.55 125.2 52.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.3 169.23 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 34.6 tt0 -86.98 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.932 0.396 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 21' ' ' ILE . 45.0 t -36.92 102.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.2 -55.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -148.61 141.35 24.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 HD11 ' CG1' ' A' ' 18' ' ' VAL . 79.7 mt -123.71 95.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.21 149.15 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mm -121.61 110.35 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.77 101.35 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -53.59 147.43 21.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.4 -40.41 23.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 t -143.55 146.2 33.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.51 164.31 12.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.5 m -123.08 107.1 11.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.15 65.83 1.76 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 53.8 p -161.25 165.3 29.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.863 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 32' ' ' SER . 53.1 mttt -163.62 141.75 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.2 148.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.05 162.91 29.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -112.13 142.39 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 39' ' ' LEU . 5.9 tp -131.89 137.11 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -119.27 125.94 50.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD1' HD21 ' A' ' 37' ' ' LEU . 6.8 mp -128.39 138.99 52.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 30.3 ttpt -89.47 103.46 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 44' ' ' MET . 16.9 p -127.8 144.71 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m 47.09 48.94 15.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 53.75 25.12 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' THR . 7.8 ptt? -147.8 133.58 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CD ' ' HG3' ' A' ' 40' ' ' LYS . 5.9 mp0 -92.75 128.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.5 m -122.16 134.38 54.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mt -82.99 143.12 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.68 148.18 48.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.92 108.21 19.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.2 120.72 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 179.4 34.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.2 m -52.93 -49.95 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -62.26 -44.05 97.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.0 mtt -54.78 -49.35 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 77.9 mt -57.86 -51.61 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -42.01 -25.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.9 m -86.08 -40.06 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.7 mt -61.52 -11.34 10.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.8 p -89.94 -53.41 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -47.95 -46.72 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.0 m-20 -102.33 13.36 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 61' ' ' ASP . 9.3 mtpm? 32.33 51.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.42 HG13 ' CG2' ' A' ' 69' ' ' ILE . 73.2 t -52.13 123.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -132.03 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 142.86 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.52 -31.21 8.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.85 159.98 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.9 t -105.28 112.99 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -115.08 144.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.9 p -99.7 164.38 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.69 106.93 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.23 107.98 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -72.5 -32.19 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.41 -48.41 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.94 -32.1 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.8 29.27 10.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -116.46 158.09 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.298 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.2 mt -117.04 126.5 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 150.18 28.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' C ' HD22 ' A' ' 81' ' ' LEU . 44.7 tttm -106.8 140.05 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 80' ' ' LYS . 5.3 mt -121.6 178.3 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.33 -92.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -134.93 121.83 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 m -104.62 119.4 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -84.3 143.85 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.9 m -77.97 137.12 38.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -94.6 136.68 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.44 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.76 156.43 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.8 p -135.36 124.04 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.54 160.22 19.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.06 18.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.0 p -124.75 132.55 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -130.75 131.17 44.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -119.8 135.05 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p -75.72 -49.87 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.7 131.9 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -103.8 144.38 31.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -55.69 117.15 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.71 46.88 1.03 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -113.62 34.18 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.314 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -138.8 126.24 21.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -44.56 110.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 p -130.62 174.98 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 61.78 30.57 18.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.7 145.96 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mt -142.15 128.13 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -168.47 159.63 32.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -80.62 106.43 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 t -43.03 124.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.2 t -109.58 -48.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -149.09 141.26 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -133.78 119.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -123.06 146.43 47.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -139.82 137.89 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.03 106.27 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -48.89 152.15 1.92 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.54 0.92 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.44 41.04 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -118.86 -21.81 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.44 41.9 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m 56.56 44.29 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.89 134.87 7.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -52.36 179.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' C ' HG12 ' A' ' 34' ' ' VAL . 25.2 ttmt -65.34 137.58 57.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 33' ' ' LYS . 12.9 m -137.15 131.24 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.88 23.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -114.69 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' A' ' 50' ' ' LEU . 3.1 tp -118.17 134.26 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -120.67 124.21 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.38 139.57 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -90.52 106.33 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' THR . 24.2 p -100.37 169.66 8.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 43' ' ' GLU . 27.7 m -34.32 111.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 42' ' ' THR . 21.0 mt-10 33.04 46.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 20.4 ttp -167.16 153.78 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -126.57 118.32 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 m -106.59 148.99 27.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.76 113.85 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -93.58 151.03 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -100.69 120.56 40.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -101.72 138.49 38.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.23 -103.38 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -119.08 -62.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -49.88 -44.35 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.465 ' CG ' HD11 ' A' ' 78' ' ' ILE . 26.2 mtt -53.21 -50.77 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.42 -43.64 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.85 -26.91 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -86.47 -45.13 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -22.73 51.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.2 p -83.96 -49.65 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -48.98 -36.95 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.24 -9.65 17.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 61.6 34.08 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.0 t -40.82 129.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -131.1 173.24 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.42 132.01 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.98 -29.57 5.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.07 171.95 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.86 113.7 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -118.52 149.01 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.4 p -98.43 161.79 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -131.04 112.08 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.54 106.19 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -71.5 -36.71 71.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.6 -40.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -122.95 -38.04 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.15 4.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -105.55 151.28 24.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.465 HD11 ' CG ' ' A' ' 54' ' ' MET . 19.6 mt -119.46 122.47 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -107.23 154.01 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -105.07 136.58 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mt -114.13 158.69 20.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.39 150.43 49.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -38.45 144.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -42.84 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -40.96 156.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.6 t -144.51 128.5 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -144.12 129.98 19.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.18 158.04 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -111.39 -61.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.6 m -112.72 110.13 20.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.16 82.76 0.37 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -176.69 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -125.24 166.07 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 m -58.79 102.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 40.74 42.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -101.5 160.72 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.17 153.19 10.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -170.43 146.78 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -50.81 177.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.41 38.98 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -126.98 127.81 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -106.91 79.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.87 132.42 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 p -125.68 148.54 48.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.2 37.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.2 mm -134.5 146.03 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -147.99 129.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -115.86 129.93 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.69 159.84 28.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -80.69 104.44 11.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.44 ' CG1' HD13 ' A' ' 21' ' ' ILE . 48.7 t -42.79 127.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 92.8 t -111.07 -49.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.68 137.38 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.44 HD13 ' CG1' ' A' ' 18' ' ' VAL . 56.5 mt -126.27 95.34 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -86.54 147.17 26.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.5 121.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.6 t70 -94.32 116.62 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -75.26 153.58 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.26 176.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -56.39 104.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.44 152.83 8.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.5 m -49.67 128.92 18.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -152.92 -151.92 5.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -136.41 174.75 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -98.84 136.44 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 22.6 m -147.57 150.35 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.0 167.88 35.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -126.82 119.48 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -106.61 139.49 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -127.05 119.92 27.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 39' ' ' LEU . 7.4 mp -109.86 144.38 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 34.2 ttpt -89.76 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.8 OUTLIER -89.27 169.82 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' GLU . 26.6 m -39.79 111.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 4.5 mm-40 36.2 39.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' THR . 4.3 ttp -167.15 149.64 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -106.83 138.02 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.519 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 30.8 m -123.62 136.09 54.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.159 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -110.78 132.2 59.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CZ ' HG23 ' A' ' 46' ' ' THR . 90.1 m-85 -118.62 135.31 54.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -75.26 121.39 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -96.25 125.51 40.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.36 -127.7 5.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 m -100.64 -68.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.85 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.85 -46.15 58.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.4 -43.56 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -49.01 -34.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -72.37 -40.57 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.18 -17.43 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.9 p -92.06 -45.0 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.45 6.07 47.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp 40.61 52.5 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.77 130.81 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.8 171.52 13.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.25 146.76 54.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.01 -28.63 14.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.36 164.33 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.9 t -107.37 113.98 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -113.92 141.57 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -96.8 161.52 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.7 mt -132.07 124.87 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -107.34 100.45 9.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.4 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -122.68 -11.59 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.82 16.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.65 156.64 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mt -121.44 143.16 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -129.14 153.36 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.45 141.48 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -124.03 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.06 152.77 7.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -40.15 142.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -172.48 147.95 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -67.85 143.17 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -73.56 147.15 44.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -76.04 86.63 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.52 158.68 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -125.01 141.22 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.2 p -99.84 40.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.03 -106.6 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 110.47 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -100.98 163.2 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 p -127.05 -44.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 144.6 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -118.92 116.65 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.37 51.47 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -67.38 78.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.831 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -126.67 108.03 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -99.23 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -146.27 107.72 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.739 0.304 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.36 108.63 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 5.5 pt-20 -102.95 110.74 22.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.49 149.55 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.37 37.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' ' OD2' ' A' ' 72' ' ' ASP . 4.6 mm -137.39 146.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -149.39 114.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -102.92 124.73 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.77 166.25 25.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -93.1 106.87 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 t -43.11 110.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.6 -52.15 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -141.79 138.34 32.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.2 mt -130.25 110.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -117.75 134.38 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -116.5 125.11 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -84.13 107.08 16.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -66.53 145.7 98.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 -53.02 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 t -60.37 -46.81 88.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.11 143.58 10.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -86.03 151.43 23.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.97 -147.43 17.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -45.49 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -118.74 150.77 39.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -143.0 154.23 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.0 162.07 33.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HG3' ' CG2' ' A' ' 47' ' ' ILE . 18.8 ttpt -116.47 130.14 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.1 tp -124.09 145.3 49.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.1 m -128.23 126.38 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -130.19 136.13 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 14.2 ttpp -89.8 114.24 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 43' ' ' GLU . 18.3 p -85.09 169.97 13.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.7 m -45.67 -18.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 41' ' ' THR . 18.0 mt-10 -114.16 -77.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -178.64 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 40.8 mt-10 -92.65 159.52 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.7 m -150.2 134.17 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 ' CG2' ' HG3' ' A' ' 36' ' ' LYS . 7.7 mt -82.77 126.61 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -104.49 117.59 34.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.16 116.98 4.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.01 162.61 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.3 -111.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 m -120.09 -36.6 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -76.57 -41.4 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.15 -43.47 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.27 -42.77 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -46.2 -27.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.9 m -83.14 -49.54 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.8 -12.08 9.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.3 p -93.79 -51.6 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -52.71 -27.87 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LYS . 5.8 m-20 -120.96 11.11 10.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ASP . 30.4 mmtm 35.11 45.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.45 134.64 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -130.25 177.29 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.78 141.76 56.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.52 -30.55 8.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.55 171.12 10.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.11 115.63 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pp -120.37 147.66 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 81' ' ' LEU . 58.8 p -95.91 171.69 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.76 108.57 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -89.77 99.89 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.35 -37.36 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.5 -56.89 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.433 HG23 ' CG ' ' A' ' 77' ' ' LYS . 8.8 t -121.64 14.58 10.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.6 25.38 55.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CG ' HG23 ' A' ' 75' ' ' THR . 7.9 mmtp -85.51 155.46 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 79' ' ' SER . 45.3 mt -129.2 134.63 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 78' ' ' ILE . 58.8 m -123.97 152.32 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -100.43 135.84 41.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 70' ' ' THR . 2.1 mt -118.57 166.13 13.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.28 -66.95 2.24 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.428 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -151.32 -179.06 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -60.7 108.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.12 -47.74 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.8 m -48.51 157.38 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -93.49 117.39 30.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 -57.28 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 49.94 42.32 24.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 m -114.11 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.22 69.64 0.12 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 161.12 47.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.0 p -153.06 124.69 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.3 p -117.89 176.89 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mm -139.66 138.69 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.534 HD11 ' HD2' ' A' ' 73' ' ' LYS . 1.9 mt -136.26 127.26 42.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.79 ' HB2' HG22 ' A' ' 70' ' ' THR . 36.2 tt0 -120.5 127.02 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.765 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -146.23 177.59 24.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.76 105.68 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.774 HG11 HD11 ' A' ' 21' ' ' ILE . 11.7 t -41.44 98.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.68 -56.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.35 150.07 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.774 HD11 HG11 ' A' ' 18' ' ' VAL . 20.2 mt -132.91 98.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.41 138.1 31.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.07 139.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.03 171.72 26.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -128.93 122.49 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 50' ' ' LEU . 8.7 tp -113.1 140.77 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 39' ' ' LEU . 77.4 m -122.31 130.6 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.0 mp -132.57 137.68 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.82 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -99.53 140.06 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -130.53 134.69 47.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.36 142.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' A' ' 14' ' ' ILE . 55.0 m-85 -127.05 132.74 50.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.97 121.81 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 37' ' ' LEU . 1.8 mt -99.75 127.85 45.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.72 -126.02 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -110.82 -19.74 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -94.25 -28.27 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.3 mtt -69.96 -33.65 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.21 -49.28 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -46.1 -33.64 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.4 m -71.46 -40.01 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -71.72 -18.2 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.8 p -89.04 -53.31 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -48.83 -34.36 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.24 5.89 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 69' ' ' ILE . 81.6 t -55.38 126.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -123.92 174.91 7.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.76 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.38 -31.29 7.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.9 m-20 -84.46 172.08 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 81' ' ' LEU . 24.6 t -116.68 120.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -127.03 156.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 1.076 HG23 HD11 ' A' ' 81' ' ' LEU . 40.6 p -107.07 169.42 8.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 37' ' ' LEU . 46.8 mt -140.79 116.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.3 t0 -94.58 105.34 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.534 ' HD2' HD11 ' A' ' 14' ' ' ILE . 12.6 mtpt -74.6 -21.2 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.1 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -105.89 -18.32 14.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 81.76 26.92 48.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -109.88 155.47 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.691 0.282 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 70' ' ' THR . 34.9 mt -119.51 141.8 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 m -128.33 152.95 47.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -101.82 138.56 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.794 ' OE2' ' HB2' ' A' ' 74' ' ' ALA . 10.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.789 0.328 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.02 144.64 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.68 132.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HB2' HG22 ' A' ' 70' ' ' THR . 47.4 tt0 -119.74 120.65 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.648 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.78 168.1 26.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.31 106.87 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 21' ' ' ILE . 6.6 t -41.4 114.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.1 t -100.55 -52.72 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -143.45 139.56 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.744 HD11 HG11 ' A' ' 18' ' ' VAL . 82.8 mt -126.21 97.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.7 mm100 -100.35 148.3 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.1 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . 11.2 mtpt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.22 155.65 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -153.85 160.65 29.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -125.39 130.2 51.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 39' ' ' LEU . 6.0 tp -127.13 140.65 52.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' LEU . 62.8 m -120.98 128.61 52.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.5 mp -127.88 137.52 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.777 0.322 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.77 138.83 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -130.49 147.65 52.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.39 146.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 21.2 m-85 -122.27 135.5 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.28 112.83 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 35' ' ' GLY . 24.8 mt -96.56 150.77 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . -112.76 -108.94 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -121.66 -50.05 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -65.83 -34.71 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -61.69 -38.67 88.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 59' ' ' THR . 91.5 mt -70.23 -45.35 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -48.49 -31.49 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -74.22 -47.92 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 HD13 ' A' ' 78' ' ' ILE . 6.3 mt -57.62 -15.88 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 55' ' ' ILE . 18.1 p -91.42 -56.11 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -45.49 -31.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -113.39 -4.66 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm 52.93 49.5 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 69' ' ' ILE . 40.7 t -61.17 131.05 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 mm-40 -131.43 -179.09 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.22 151.45 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -27.68 18.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.0 m-20 -90.63 171.97 9.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 81' ' ' LEU . 20.2 t -115.19 122.65 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.905 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -130.37 147.52 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.954 HG23 HD11 ' A' ' 81' ' ' LEU . 21.5 p -101.64 165.19 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 54.7 mt -134.31 107.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -89.2 101.2 13.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -64.33 -41.73 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.794 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . . . -48.07 -49.4 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -100.08 -9.53 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.5 36.0 92.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -121.93 156.09 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.478 HD13 HD21 ' A' ' 58' ' ' LEU . 25.2 mt -111.4 129.38 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -115.24 152.8 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.8 ttpm? -106.38 139.28 41.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.954 HD11 HG23 ' A' ' 70' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 72' ' ' ASP . 3.6 mm -136.13 141.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -144.3 123.31 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.804 ' HB2' HG22 ' A' ' 70' ' ' THR . 10.3 tt0 -112.84 135.99 52.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.554 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -153.33 169.3 32.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 68' ' ' VAL . 35.6 tt0 -84.55 113.26 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 65' ' ' ALA . 60.3 t -48.3 114.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.8 t -99.93 -44.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -157.24 150.2 23.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.0 mt -140.35 118.93 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.749 ' C ' HD12 ' A' ' 23' ' ' ILE . 36.3 mt-30 -125.91 152.13 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.3 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.0 m -132.31 121.07 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.27 169.18 14.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' CE ' HG21 ' A' ' 47' ' ' ILE . 2.4 mtpm? -127.51 125.79 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.9 tp -119.74 144.64 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.5 ' H ' HD12 ' A' ' 37' ' ' LEU . 86.5 m -129.58 112.21 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.89 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -111.92 144.68 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ptt? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -115.46 127.76 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -111.79 138.68 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.557 HG21 ' CE ' ' A' ' 36' ' ' LYS . 4.7 mp -95.05 116.3 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -106.78 127.58 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -79.17 128.0 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.2 mt -102.08 149.33 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -103.42 -121.96 5.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -105.73 -44.69 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.83 -50.08 46.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 mtt -42.94 -49.83 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 51' ' ' GLY . 61.8 mt -60.99 -51.95 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -40.45 -31.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -80.49 -44.24 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 78' ' ' ILE . 5.4 mt -68.73 -18.76 64.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.4 p -86.37 -44.57 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.2 -37.28 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.5 5.23 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 40.26 54.28 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.67 130.75 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.36 164.01 23.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -55.54 149.56 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.34 -36.77 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.66 172.02 13.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 17' ' ' GLU . 94.6 t -123.2 111.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 78' ' ' ILE . 6.1 pt -111.08 171.63 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.956 HG23 HD11 ' A' ' 81' ' ' LEU . 17.9 p -122.55 172.75 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.8 mt -141.09 115.3 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' HA ' HD13 ' A' ' 13' ' ' ILE . 8.4 t0 -100.46 105.49 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ALA . 39.6 mttp -67.88 -37.75 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.21 -54.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -111.98 -25.97 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.14 27.87 10.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -106.12 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 70' ' ' THR . 20.8 mt -120.16 136.23 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t -117.53 153.42 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.96 141.08 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 70' ' ' THR . 1.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 13' ' ' ILE . 26.5 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 12' ' ' GLU . 3.2 mm -141.51 128.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.0 116.18 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.686 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.1 OUTLIER -106.57 140.13 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 165.98 33.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.02 107.02 13.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 65' ' ' ALA . 48.9 t -43.04 106.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 45' ' ' GLU . 60.0 t -86.92 -52.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 4.6 tp10 -153.88 148.65 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 78.5 mt -133.14 129.36 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.703 ' C ' HD12 ' A' ' 23' ' ' ILE . 9.3 mt-30 -136.77 151.32 49.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.703 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.5 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' A' ' 52' ' ' THR . 39.2 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' VAL . 5.0 m -132.54 116.1 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.69 156.55 15.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -116.8 117.94 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 50' ' ' LEU . 6.3 tp -113.79 146.67 39.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -131.28 115.72 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 37' ' ' LEU . 7.5 mp -115.65 138.82 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 36.9 ttmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 ptt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.696 0.284 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' HG21 ' A' ' 19' ' ' VAL . 26.7 mt-10 -103.17 140.27 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -128.03 135.16 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.03 127.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.17 121.76 44.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -62.33 114.15 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 37' ' ' LEU . 79.7 mt -90.15 122.0 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.13 171.21 38.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' HE3' ' A' ' 33' ' ' LYS . 61.6 m -53.4 -35.4 60.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -45.67 52.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 mtt -53.95 -47.89 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mt -57.25 -50.91 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -46.61 -23.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 m -89.11 -38.45 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 78' ' ' ILE . 5.0 mt -70.83 -15.54 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 p -89.13 -38.19 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -66.07 -37.06 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -2.64 52.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 mttt 53.97 33.64 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.0 138.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -141.78 165.12 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -61.72 145.85 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.65 29.83 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.73 170.96 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.3 112.16 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -116.84 154.54 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.915 HG23 HD11 ' A' ' 81' ' ' LEU . 41.4 p -104.17 166.17 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.3 mt -136.07 112.67 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.17 105.62 17.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -70.06 -27.22 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.48 16.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.474 HG23 ' HG2' ' A' ' 77' ' ' LYS . 15.1 t -110.97 -16.51 13.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.74 29.08 30.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG2' HG23 ' A' ' 75' ' ' THR . 20.4 mmtp -101.49 158.26 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 70' ' ' THR . 22.1 mt -127.43 126.62 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -112.75 153.46 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HG3' HG22 ' A' ' 69' ' ' ILE . 16.0 tttm -102.75 139.96 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.915 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -145.04 140.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -132.63 114.19 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.649 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -104.07 141.88 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.91 174.79 41.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -90.05 119.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 69' ' ' ILE . 3.8 t -52.74 108.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 45' ' ' GLU . 78.4 t -92.33 -53.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -149.95 141.83 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 18' ' ' VAL . 46.9 mt -125.54 100.25 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -89.04 155.84 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HB3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 ' C ' HD11 ' A' ' 55' ' ' ILE . 11.5 m -155.35 162.55 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' HD11 ' A' ' 55' ' ' ILE . . . -157.27 151.85 23.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 47' ' ' ILE . 45.5 tttt -112.62 118.1 34.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 50' ' ' LEU . 10.3 tp -110.41 138.08 47.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 125.28 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.9 mp -116.1 152.07 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' A' ' 19' ' ' VAL . 3.8 tt0 -123.76 117.07 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 m -105.49 150.64 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.614 HG21 ' HE2' ' A' ' 36' ' ' LYS . 16.2 mt -116.42 116.99 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.749 ' HE2' HD22 ' A' ' 39' ' ' LEU . 15.2 m-85 -97.05 142.32 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.48 128.39 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 37' ' ' LEU . 13.7 mt -99.1 119.01 37.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.33 168.75 35.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.859 HG23 ' HB3' ' A' ' 33' ' ' LYS . 1.7 m -52.37 -19.25 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.365 . . . . 0.0 111.136 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -93.71 -35.62 12.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.682 ' HE2' HG23 ' A' ' 71' ' ' ILE . 20.1 mtt -63.95 -44.88 91.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.672 HD11 ' C ' ' A' ' 34' ' ' VAL . 66.7 mt -62.42 -47.46 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.26 -21.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -91.64 -36.29 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 58' ' ' LEU . 5.7 mt -68.27 -11.56 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.3 p -90.25 -43.42 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 18.3 pttp -63.71 -35.08 79.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 63.3 m-20 -102.27 6.22 40.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt 38.03 47.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 69' ' ' ILE . 87.6 t -55.37 125.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -121.47 169.9 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 163.38 11.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.21 -25.77 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.8 m-20 -84.36 171.82 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 81' ' ' LEU . 45.4 t -115.96 118.78 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.799 HG22 ' HG2' ' A' ' 80' ' ' LYS . 6.4 pt -123.84 159.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 1.042 HG23 HD11 ' A' ' 81' ' ' LEU . 18.7 p -115.82 160.38 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.682 HG23 ' HE2' ' A' ' 54' ' ' MET . 20.4 mt -135.41 110.83 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.2 t70 -92.08 105.35 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -65.77 -28.57 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -66.6 -58.58 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -87.98 -11.76 46.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.72 31.46 80.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -118.19 157.31 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 70' ' ' THR . 33.1 mt -120.57 139.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 m -132.08 151.95 51.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.799 ' HG2' HG22 ' A' ' 69' ' ' ILE . 20.3 mtpt -98.11 143.06 29.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.042 HD11 HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' CD ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 pt-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mt -144.01 138.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mt -136.81 120.59 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.695 ' HB2' HG22 ' A' ' 70' ' ' THR . 29.4 tt0 -108.37 140.59 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.674 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -159.38 173.43 36.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' HG22 ' A' ' 68' ' ' VAL . 36.9 tt0 -89.59 109.03 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.4 t -50.64 113.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.36 -53.07 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -142.94 143.61 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.556 HD11 HG11 ' A' ' 18' ' ' VAL . 88.2 mt -131.87 96.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -84.27 142.96 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HD2' HG23 ' A' ' 52' ' ' THR . 55.6 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 m -140.1 146.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.38 154.92 26.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.606 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 tttm -129.59 119.07 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.358 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 39' ' ' LEU . 4.8 tp -113.9 143.65 44.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.0 m -130.89 118.82 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.507 HD22 ' HE2' ' A' ' 48' ' ' TYR . 7.6 mp -111.67 138.12 48.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.834 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.773 0.321 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -112.45 115.72 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -107.55 135.24 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.606 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 13.4 mt -103.3 109.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.507 ' HE2' HD22 ' A' ' 39' ' ' LEU . 25.7 m-85 -92.25 139.85 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.5 p-10 -85.09 158.07 20.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 49' ' ' ASP . 23.3 mt -131.1 161.34 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -123.81 -125.85 3.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HD2' ' A' ' 33' ' ' LYS . 29.0 m -101.95 -41.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -77.03 -46.91 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.4 mtt -51.37 -35.35 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 81.5 mt -69.46 -49.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.44 -27.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -76.52 -40.57 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 78' ' ' ILE . 6.5 mt -74.45 -14.1 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.1 p -93.89 -40.57 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -30.63 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 5.4 m-20 -105.0 3.71 30.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt 43.27 49.3 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG22 ' HZ2' ' A' ' 80' ' ' LYS . 79.2 t -62.97 131.83 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -130.27 170.16 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 148.11 43.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.62 -35.05 5.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -88.87 130.47 35.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' GLY . 95.1 t -80.46 113.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.6 pp -112.33 149.56 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.863 HG23 HD11 ' A' ' 81' ' ' LEU . 41.3 p -99.62 169.56 9.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.2 mt -142.14 109.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.6 t0 -90.58 106.0 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -67.16 -31.86 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 12' ' ' GLU . . . -58.89 -54.11 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -93.92 -14.28 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.3 32.26 81.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.66 153.02 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 69' ' ' ILE . 30.4 mt -113.63 127.91 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 m -121.31 134.12 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -90.15 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.863 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.779 0.323 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.2 mt -144.94 144.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -144.15 128.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.741 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.55 138.46 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.651 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -155.63 162.13 30.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.03 106.63 14.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 21' ' ' ILE . 97.1 t -46.59 108.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 t -93.47 -53.09 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.64 147.81 38.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 18' ' ' VAL . 88.7 mt -134.04 105.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -103.86 140.77 37.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 mm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -138.06 154.04 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.89 168.34 36.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -129.94 144.83 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 39' ' ' LEU . 10.5 tp -138.59 141.58 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.626 ' O ' HD12 ' A' ' 39' ' ' LEU . 68.8 m -122.7 130.81 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.807 ' CD1' HD11 ' A' ' 37' ' ' LEU . 9.1 mp -131.65 128.36 38.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.841 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.695 0.283 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -98.61 163.28 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.7 m -150.31 138.52 20.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.3 mt -82.87 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -120.62 116.81 26.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -62.18 114.57 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 37' ' ' LEU . 52.0 mt -97.69 149.27 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.19 -118.0 3.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -109.94 -54.44 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -60.89 -39.38 89.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.7 mmt -54.47 -50.02 68.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.31 -44.46 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -44.52 -26.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -87.86 -41.43 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 78' ' ' ILE . 6.8 mt -66.09 -14.63 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 p -92.05 -44.87 8.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -43.94 94.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.1 m-20 -91.95 9.59 32.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 36.59 51.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 69' ' ' ILE . 60.4 t -62.24 143.85 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 21' ' ' ILE . 42.2 mt-30 -150.14 -179.49 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 138.86 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.36 -31.19 6.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.3 m-20 -98.04 130.99 44.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.866 0.365 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.0 t -79.96 113.48 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.548 HG22 ' HG3' ' A' ' 80' ' ' LYS . 2.7 pp -111.0 161.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.787 HG23 HD11 ' A' ' 81' ' ' LEU . 15.5 p -112.67 169.42 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.27 107.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.7 t0 -97.1 107.93 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -65.02 -39.84 94.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.12 -59.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -105.75 -19.2 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 82.86 28.99 36.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -100.01 153.35 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 58' ' ' LEU . 36.6 mt -122.89 117.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -106.64 153.23 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HG3' HG22 ' A' ' 69' ' ' ILE . 25.1 ttmt -103.1 138.68 39.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.787 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.91 130.13 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.59 113.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.95 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -114.7 166.21 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.675 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -175.35 168.14 40.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -82.54 104.66 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.748 HG11 HD11 ' A' ' 21' ' ' ILE . 5.0 t -49.87 129.32 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.34 -47.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.29 138.17 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.748 HD11 HG11 ' A' ' 18' ' ' VAL . 90.1 mt -130.63 110.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -103.9 147.08 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.792 0.329 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.5 138.37 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.05 146.04 17.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 tmmm? -111.38 120.91 43.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 HG12 ' A' ' 21' ' ' ILE . 3.1 tp -115.38 130.58 56.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 89.5 m -119.33 122.86 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.675 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.2 mp -113.47 147.37 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.868 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.522 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -138.62 133.59 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -129.88 146.72 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.4 mp -111.6 110.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HB2' HD23 ' A' ' 37' ' ' LEU . 83.5 m-85 -91.67 117.04 29.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -66.3 131.72 46.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.2 126.3 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.54 -124.0 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.8 m -114.01 -34.99 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -80.72 -43.36 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.4 mtt -53.62 -37.96 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . 61.3 mt -67.1 -52.71 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -39.73 -27.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m -85.69 -45.76 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 78' ' ' ILE . 6.6 mt -58.12 -11.75 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -93.45 -44.08 8.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -64.54 -23.37 67.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.702 ' CG ' HG23 ' A' ' 63' ' ' VAL . 12.5 p30 -106.28 0.37 25.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 46.6 42.72 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.702 HG23 ' CG ' ' A' ' 61' ' ' ASP . 92.8 t -55.9 146.18 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.05 175.87 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.79 140.3 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.92 -28.23 10.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.65 172.06 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.4 t -119.19 113.44 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.669 HG22 ' HG2' ' A' ' 80' ' ' LYS . 2.5 pp -112.71 154.59 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.95 HG22 ' HB3' ' A' ' 15' ' ' GLU . 28.2 p -107.34 166.31 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -135.98 112.11 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 t0 -96.4 105.95 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -68.11 -36.59 80.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.74 -53.9 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -107.84 -37.46 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 102.14 33.17 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -107.72 153.1 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 58' ' ' LEU . 19.6 mt -120.5 128.18 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.2 m -119.87 153.08 36.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HG2' HG22 ' A' ' 69' ' ' ILE . 7.2 mtpm? -98.53 143.12 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.897 HD11 HG23 ' A' ' 70' ' ' THR . 2.9 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 13' ' ' ILE . 6.1 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 72' ' ' ASP . 5.7 mm -144.77 133.67 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.466 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 1.7 mm -118.23 154.11 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -149.61 118.51 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.576 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -153.78 162.55 30.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 42.6 tt0 -83.14 103.98 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.688 HG11 HD11 ' A' ' 21' ' ' ILE . 19.9 t -36.91 106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -90.46 -52.62 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -146.98 147.31 30.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.688 HD11 HG11 ' A' ' 18' ' ' VAL . 77.2 mt -133.06 97.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -98.78 155.62 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 19.1 tptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.9 m -139.34 148.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 50' ' ' LEU . . . -143.02 166.86 26.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 32.5 tttp -124.0 118.19 26.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.4 tp -116.03 145.15 43.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -126.81 124.93 40.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.621 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.1 mp -128.26 138.21 52.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 28.5 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.733 0.302 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 28.3 mt-10 -96.48 132.64 41.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.8 m -125.84 138.71 53.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 47' ' ' ILE . 4.0 mp -87.37 133.99 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.466 ' CZ ' HG21 ' A' ' 14' ' ' ILE . 95.9 m-85 -116.88 122.81 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -60.16 118.98 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 37' ' ' LEU . 70.3 mt -88.49 121.98 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.15 159.76 26.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -44.79 -30.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.86 -51.46 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.2 mtt -46.76 -50.79 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 59' ' ' THR . 92.6 mt -52.46 -53.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -41.92 -28.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t -80.99 -52.33 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -60.67 -11.16 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 55' ' ' ILE . 58.4 p -91.55 -47.9 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -55.14 -40.05 70.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.71 9.17 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 38.02 39.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 80' ' ' LYS . 77.1 t -38.4 127.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -120.84 161.63 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.49 155.76 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.48 -28.29 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -84.1 165.71 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -114.82 112.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.5 pp -115.21 149.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.7 p -102.86 166.67 10.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.34 108.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.3 t0 -91.62 105.16 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -68.18 -38.53 82.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.14 -57.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 t -108.0 -14.27 14.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 79.65 30.87 42.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -101.98 155.62 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 41.7 mt -121.83 123.23 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.7 m -110.75 153.14 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD2' HG22 ' A' ' 63' ' ' VAL . 13.3 tttm -107.38 138.7 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.1 mt -143.99 140.87 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -137.5 120.5 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.828 ' HB2' HG22 ' A' ' 70' ' ' THR . 26.2 tt0 -113.37 123.29 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -145.08 165.98 27.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.62 108.61 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 21' ' ' ILE . 11.9 t -42.3 107.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.539 HG11 ' OE1' ' A' ' 45' ' ' GLU . 60.1 t -90.46 -46.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -152.94 152.32 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 18' ' ' VAL . 52.5 mt -140.6 109.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -114.33 153.98 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.489 HD13 ' HA3' ' A' ' 35' ' ' GLY . 31.8 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.65 147.92 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -137.79 150.9 21.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -105.37 121.73 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.958 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.5 tp -113.92 145.89 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' HD12 ' A' ' 39' ' ' LEU . 87.4 m -130.31 122.91 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 16' ' ' GLY . 8.6 mp -122.3 139.16 54.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.702 0.286 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.539 ' OE1' HG11 ' A' ' 19' ' ' VAL . 14.9 mt-10 -92.34 132.9 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.2 m -127.41 138.7 53.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.86 144.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 118.37 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.67 117.98 7.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 37' ' ' LEU . 63.4 mt -97.13 120.21 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' THR . . . -86.92 162.49 34.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.524 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' GLY . 92.8 m -36.62 -61.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.2 pttp -51.57 -58.94 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' LYS . 11.2 mtt -37.44 -48.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' SER . 94.8 mt -57.74 -49.72 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -39.68 -29.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.0 t -79.71 -49.9 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 78' ' ' ILE . 6.4 mt -55.58 -13.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 p -91.91 -50.1 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -48.14 -43.45 31.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 8.2 t0 -101.12 -1.56 33.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt 51.62 44.73 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 69' ' ' ILE . 77.9 t -50.71 138.2 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -136.79 178.63 6.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.83 147.98 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.35 -18.79 55.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.4 m-20 -96.29 170.69 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.92 113.74 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.573 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.1 pp -118.67 168.31 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 15' ' ' GLU . 70.5 p -121.13 170.75 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' CD2' ' A' ' 37' ' ' LEU . 20.4 mt -142.93 109.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.9 t70 -89.29 106.45 18.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -70.28 -29.98 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.68 -48.24 77.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -98.71 -13.19 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.36 27.11 72.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -113.73 153.0 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 70' ' ' THR . 19.9 mt -114.05 133.46 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -122.56 150.46 42.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CE ' ' OD2' ' A' ' 67' ' ' ASP . 83.9 tttt -105.97 136.45 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.6 HD11 ' CG2' ' A' ' 70' ' ' THR . 1.9 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -144.79 140.36 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.51 121.24 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.857 ' HB2' HG22 ' A' ' 70' ' ' THR . 24.5 tt0 -115.18 143.19 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.606 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -162.14 174.79 38.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -89.84 105.6 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 67' ' ' ASP . 50.7 t -39.34 105.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG21 ' CD ' ' A' ' 45' ' ' GLU . 83.9 t -90.81 -55.02 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -142.61 143.2 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HG11 ' A' ' 18' ' ' VAL . 81.8 mt -129.11 95.17 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -88.34 142.21 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.52 140.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 162.25 29.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HD2' HG22 ' A' ' 47' ' ' ILE . 1.2 tppp? -120.9 150.19 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.6 tp -137.82 145.83 42.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 39' ' ' LEU . 58.1 m -127.74 127.94 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 16' ' ' GLY . 7.5 mp -131.41 129.25 41.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' CA ' ' HG3' ' A' ' 45' ' ' GLU . 32.4 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.77 0.319 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' CD ' HG21 ' A' ' 19' ' ' VAL . 15.4 tt0 -99.69 114.42 27.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 m -105.84 149.77 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.517 HG22 ' HD2' ' A' ' 36' ' ' LYS . 65.6 mt -102.12 104.26 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 9.7 m-85 -83.77 131.2 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.9 136.27 33.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -108.2 172.81 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -137.82 -102.64 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.7 m -124.96 -47.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -39.87 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 mtt -61.61 -47.12 86.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 51' ' ' GLY . 95.3 mt -64.53 -45.05 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.62 -28.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.6 m -83.59 -47.2 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 HG21 ' A' ' 78' ' ' ILE . 8.6 mt -55.9 -13.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -90.3 -41.62 11.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -57.28 -49.58 75.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.43 -0.69 57.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.57 49.88 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.81 150.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -153.93 166.88 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.05 142.76 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.99 -29.51 11.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.2 m-20 -94.05 156.35 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 16' ' ' GLY . 86.3 t -103.4 115.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.657 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.3 pp -115.2 142.74 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.875 HG23 HD11 ' A' ' 81' ' ' LEU . 17.5 p -95.46 166.67 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 22.1 mt -141.37 109.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -88.17 106.8 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -65.4 -38.05 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.21 85.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.1 p -90.89 -12.11 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 56.7 36.45 71.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -122.46 158.05 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.775 HG21 HD21 ' A' ' 58' ' ' LEU . 60.2 mt -118.12 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -113.63 138.52 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.657 ' HA ' HG22 ' A' ' 69' ' ' ILE . 1.4 ttpm? -95.7 137.82 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 HG23 ' A' ' 70' ' ' THR . 5.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.959 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -144.38 140.54 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.63 133.91 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 70' ' ' THR . 77.5 tt0 -114.33 146.28 40.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.562 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -168.49 159.85 33.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -80.76 109.69 15.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 21' ' ' ILE . 50.0 t -51.86 124.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 40' ' ' LYS . 92.4 t -108.82 -47.53 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -144.1 137.56 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 18' ' ' VAL . 66.8 mt -128.84 96.22 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -89.93 139.99 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 mttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -149.06 154.25 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.57 169.68 37.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CE ' HG21 ' A' ' 47' ' ' ILE . 11.0 mtpt -129.65 119.14 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' HD11 ' A' ' 50' ' ' LEU . 3.0 tp -111.41 139.23 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -128.22 122.18 31.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.7 mp -114.03 138.18 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 19' ' ' VAL . 34.7 ttmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.304 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -116.83 137.99 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -121.27 151.89 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.521 HG21 ' CE ' ' A' ' 36' ' ' LYS . 5.3 mp -123.41 104.52 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -92.61 138.74 31.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.28 120.26 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 37' ' ' LEU . 56.0 mt -89.12 156.08 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.8 -127.89 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 m -101.66 -40.98 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -75.28 -44.49 45.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -53.81 -43.45 69.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' LEU . 83.0 mt -62.67 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.75 -28.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -84.94 -37.86 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.6 mt -71.8 -21.99 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -90.67 -48.77 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -29.76 17.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -112.55 -11.69 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mptt 63.75 38.55 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 69' ' ' ILE . 98.5 t -46.76 138.2 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -141.09 163.68 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.83 138.93 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.24 -36.03 4.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -91.37 132.94 35.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.402 HG11 ' OE2' ' A' ' 15' ' ' GLU . 81.2 t -79.98 112.93 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.572 HG21 HG11 ' A' ' 63' ' ' VAL . 2.7 pp -109.61 155.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 78' ' ' ILE . 24.5 p -106.32 164.91 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.59 109.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -92.19 105.22 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -70.78 -33.22 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.52 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -107.5 -23.92 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.69 27.29 20.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -108.71 154.93 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' THR . 32.8 mt -116.18 138.25 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.7 m -124.92 132.75 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -90.24 138.29 31.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -144.95 139.17 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG21 ' OH ' ' A' ' 48' ' ' TYR . 2.5 mt -136.39 125.57 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.98 144.08 43.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.03 164.52 37.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -81.1 118.03 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 67' ' ' ASP . 34.1 t -60.13 124.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 40' ' ' LYS . 86.4 t -111.96 -49.99 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -142.25 142.22 32.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 18' ' ' VAL . 96.7 mt -134.05 97.03 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.34 138.4 35.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.46 145.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.7 158.3 28.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 47' ' ' ILE . 6.4 tptm -119.24 148.73 42.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' A' ' 21' ' ' ILE . 3.1 tp -137.68 135.27 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 85.7 m -122.39 123.42 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.3 mp -113.7 134.1 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.506 ' HB2' HG21 ' A' ' 19' ' ' VAL . 5.5 ttpm? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.697 0.284 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 4.4 tt0 -120.22 134.69 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -126.71 153.13 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 36' ' ' LYS . 22.4 mt -113.61 140.16 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' OH ' HG21 ' A' ' 14' ' ' ILE . 91.7 m-85 -121.97 139.86 53.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.0 143.46 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.29 129.05 50.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.62 -121.17 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -108.26 -44.52 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -74.0 -37.25 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -60.65 -33.15 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.17 -40.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -53.83 -20.97 6.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 -45.79 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.882 HD21 HG21 ' A' ' 78' ' ' ILE . 4.3 mt -57.55 -28.43 63.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.7 p -79.04 -46.83 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -49.4 -53.23 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.69 0.96 55.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 50.93 40.4 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' HG21 ' A' ' 69' ' ' ILE . 74.7 t -46.38 129.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -129.98 164.25 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.49 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.8 -39.69 2.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.1 m-20 -82.86 143.37 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.81 112.58 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.554 HD13 HG23 ' A' ' 78' ' ' ILE . 2.1 pp -111.8 145.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.768 HG22 ' HB2' ' A' ' 15' ' ' GLU . 14.5 p -98.61 163.48 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mt -135.86 106.92 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t0 -83.28 107.45 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -75.11 -35.47 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.11 71.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 p -113.56 -10.39 13.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.94 41.65 99.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -120.62 158.21 27.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.882 HG21 HD21 ' A' ' 58' ' ' LEU . 84.0 mt -124.02 115.75 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -109.52 151.93 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 17.0 ttpp -109.31 139.99 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.523 HD12 ' CG ' ' A' ' 72' ' ' ASP . 3.1 mm -137.65 128.06 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' ILE . 0.4 OUTLIER -122.72 135.09 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.3 tt0 -125.47 138.63 54.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.784 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -162.25 170.21 37.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.1 tt0 -87.6 103.63 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 21' ' ' ILE . 25.2 t -41.72 125.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 40' ' ' LYS . 78.7 t -114.93 -50.52 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.61 134.67 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 18' ' ' VAL . 62.8 mt -126.78 95.01 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 35.1 mt-30 -82.2 139.31 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.5 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 55' ' ' ILE . 29.4 tptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.14 147.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.21 170.55 37.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -127.47 142.11 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD2' HD11 ' A' ' 71' ' ' ILE . 6.1 tp -125.33 132.51 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 47' ' ' ILE . 76.3 m -118.55 126.36 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.784 HD23 ' CA ' ' A' ' 16' ' ' GLY . 9.7 mp -120.56 137.55 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 19' ' ' VAL . 28.3 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.539 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 1.8 ttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -134.0 112.65 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 47' ' ' ILE . 26.4 m -99.01 152.69 19.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 38' ' ' THR . 23.6 mm -124.12 138.22 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' HE2' HD22 ' A' ' 39' ' ' LEU . 20.3 m-85 -126.51 138.68 53.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -89.94 132.38 35.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.29 137.08 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.86 -106.37 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -119.93 -29.76 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -85.07 -46.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -49.64 -37.98 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.596 HD12 ' HG2' ' A' ' 33' ' ' LYS . 88.4 mt -68.69 -50.55 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.04 -31.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 m -78.12 -49.96 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -64.62 -11.62 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -93.52 -50.07 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.3 ptmt -53.94 -30.72 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 2.7 t70 -114.26 7.31 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm 42.3 35.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 69' ' ' ILE . 69.7 t -40.01 123.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -118.89 166.02 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.97 135.48 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.87 -35.36 3.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.35 168.15 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.7 t -113.94 104.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.546 HD13 ' CG2' ' A' ' 78' ' ' ILE . 1.7 pp -114.28 145.94 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.808 HG23 HD11 ' A' ' 81' ' ' LEU . 81.2 p -100.07 173.08 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 37' ' ' LEU . 77.9 mt -140.67 109.49 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CG ' HD12 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -88.14 103.51 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -62.52 -37.96 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.97 -52.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 77' ' ' LYS . 14.4 t -123.18 8.04 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.11 31.63 73.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 75' ' ' THR . 12.6 mttm -97.33 144.54 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.546 ' CG2' HD13 ' A' ' 69' ' ' ILE . 91.4 mt -111.13 132.86 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -124.59 142.79 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.9 ttpm? -94.7 140.74 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -139.39 148.65 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -147.34 125.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.4 138.15 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.572 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -157.59 165.15 33.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -80.72 104.1 11.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 21' ' ' ILE . 48.4 t -40.93 103.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.73 -52.14 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -153.17 146.21 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.509 HD11 HG11 ' A' ' 18' ' ' VAL . 55.1 mt -127.41 95.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -91.58 149.0 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.475 HD13 ' HA3' ' A' ' 35' ' ' GLY . 47.0 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 m -145.0 138.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -155.36 145.9 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 27.2 mmtm -103.73 135.85 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 39' ' ' LEU . 4.9 tp -121.92 150.06 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 39' ' ' LEU . 41.2 m -131.04 129.63 42.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 38' ' ' THR . 7.4 mp -135.59 126.47 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 6.1 tt0 -98.82 132.77 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -123.44 137.96 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.443 ' CG2' ' HD2' ' A' ' 36' ' ' LYS . 61.8 mt -90.13 103.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.88 147.98 24.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.41 146.3 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 37' ' ' LEU . 25.2 mt -120.44 151.42 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.69 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -117.56 -128.78 4.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 m -99.23 -51.6 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.86 -48.98 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 mtt -53.35 -53.4 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 51' ' ' GLY . 94.6 mt -59.97 -55.72 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -41.89 -24.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ILE . 22.9 t -83.33 -47.47 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . 10.8 mt -58.85 -10.8 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -93.02 -36.97 12.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -69.07 -32.38 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 63' ' ' VAL . 1.6 p30 -94.74 -14.98 24.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.96 42.16 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 61' ' ' ASP . 98.0 t -59.33 140.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -143.51 163.21 33.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.39 136.31 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.41 -31.94 5.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.7 166.09 13.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.88 112.32 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.713 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.3 pp -114.24 149.97 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.992 HG23 HD11 ' A' ' 81' ' ' LEU . 46.3 p -98.27 173.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -144.13 106.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' OD2' ' HB3' ' A' ' 74' ' ' ALA . 1.5 t70 -92.56 107.13 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ALA . 25.4 mttm -68.11 -39.95 82.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -34.64 -54.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -112.07 -29.83 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 100.02 30.37 6.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -97.11 158.02 15.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' THR . 20.3 mt -132.79 118.54 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.8 m -108.13 153.98 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 69' ' ' ILE . 30.1 tttt -99.24 142.98 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.992 HD11 HG23 ' A' ' 70' ' ' THR . 4.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mt -144.8 140.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.405 HG21 ' OH ' ' A' ' 48' ' ' TYR . 3.2 mt -142.76 119.87 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.976 ' HB2' HG22 ' A' ' 70' ' ' THR . 28.7 tt0 -107.53 152.39 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -170.84 167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -81.12 116.92 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.871 HG11 HD11 ' A' ' 21' ' ' ILE . 44.0 t -57.53 107.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 40' ' ' LYS . 73.6 t -95.2 -54.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -138.36 142.12 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.871 HD11 HG11 ' A' ' 18' ' ' VAL . 74.8 mt -131.53 95.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -82.1 134.49 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.72 142.91 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.77 170.79 34.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -124.46 158.16 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 71' ' ' ILE . 2.7 tp -141.49 129.35 21.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.7 m -113.76 121.59 44.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.7 mp -114.47 129.93 56.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 19' ' ' VAL . 26.7 ttmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -114.53 149.91 35.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -148.72 145.68 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.24 121.38 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' OH ' HG21 ' A' ' 14' ' ' ILE . 61.9 m-85 -99.1 143.17 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.01 133.28 34.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.79 141.44 46.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.15 -122.16 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.3 m -114.7 -20.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -41.47 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.45 -32.03 69.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.98 -39.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.34 -26.45 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.9 t -79.15 -56.68 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 78' ' ' ILE . 5.5 mt -51.65 -17.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 -39.98 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -67.6 -20.4 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.725 ' CG ' HG23 ' A' ' 63' ' ' VAL . 5.7 p30 -107.6 -13.42 15.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.7 33.13 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.725 HG23 ' CG ' ' A' ' 61' ' ' ASP . 91.1 t -51.84 141.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -138.08 161.26 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.2 138.34 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.48 23.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.8 t70 -90.22 166.41 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.2 t -109.88 104.81 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -113.57 144.16 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.991 HG23 HD11 ' A' ' 81' ' ' LEU . 40.9 p -94.99 173.06 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 37' ' ' LEU . 72.0 mt -143.79 107.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -90.29 106.71 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.96 -38.93 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.47 -60.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -104.1 -19.7 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 85.0 31.78 22.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -103.55 158.09 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 58' ' ' LEU . 28.4 mt -124.77 138.62 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -128.48 153.76 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.465 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.6 ttpt -101.12 140.13 35.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.991 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.1 mt -144.96 142.39 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.92 119.91 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.785 ' HB2' HG22 ' A' ' 70' ' ' THR . 8.5 tt0 -109.55 125.2 52.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.3 169.23 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 34.6 tt0 -86.98 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.932 0.396 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' ASP . 45.0 t -36.92 102.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.2 -55.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -148.61 141.35 24.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 18' ' ' VAL . 79.7 mt -123.71 95.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.21 149.15 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.2 148.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.05 162.91 29.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -112.13 142.39 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -131.89 137.11 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -119.27 125.94 50.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.8 mp -128.39 138.99 52.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 30.3 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.694 0.283 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' HG3' ' A' ' 40' ' ' LYS . 5.9 mp0 -92.75 128.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.5 m -122.16 134.38 54.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mt -82.99 143.12 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.68 148.18 48.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.92 108.21 19.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 37' ' ' LEU . 35.9 mt -88.2 120.72 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 179.4 34.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.2 m -52.93 -49.95 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -62.26 -44.05 97.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.0 mtt -54.78 -49.35 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 77.9 mt -57.86 -51.61 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -42.01 -25.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.9 m -86.08 -40.06 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.7 mt -61.52 -11.34 10.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.8 p -89.94 -53.41 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -47.95 -46.72 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.0 m-20 -102.33 13.36 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 61' ' ' ASP . 9.3 mtpm? 32.33 51.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.644 ' CG1' HG21 ' A' ' 69' ' ' ILE . 73.2 t -52.13 123.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -132.03 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 142.86 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.52 -31.21 8.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.7 m-20 -93.85 159.98 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.9 t -105.28 112.99 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CG1' ' A' ' 63' ' ' VAL . 2.7 pp -115.08 144.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.785 HG22 ' HB2' ' A' ' 15' ' ' GLU . 77.9 p -99.7 164.38 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.69 106.93 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 74' ' ' ALA . 3.0 t70 -88.23 107.98 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -72.5 -32.19 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -51.41 -48.41 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.94 -32.1 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.8 29.27 10.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -116.46 158.09 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.298 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 70' ' ' THR . 30.2 mt -117.04 126.5 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 150.18 28.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.433 ' C ' HD23 ' A' ' 81' ' ' LEU . 44.7 tttm -106.8 140.05 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 70' ' ' THR . 5.3 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.7 145.96 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 48' ' ' TYR . 2.4 mt -142.15 128.13 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.799 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -168.47 159.63 32.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -80.62 106.43 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 21' ' ' ILE . 3.3 t -43.03 124.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 95.2 t -109.58 -48.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -149.09 141.26 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.691 HD11 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -133.78 119.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.0 tt0 -123.06 146.43 47.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.7 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.15 131.24 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.88 23.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -114.69 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.1 tp -118.17 134.26 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -120.67 124.21 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.38 139.57 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 40.6 tttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -126.57 118.32 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 m -106.59 148.99 27.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.76 113.85 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HE2' HD12 ' A' ' 14' ' ' ILE . 21.8 m-85 -93.58 151.03 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -100.69 120.56 40.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD21 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -101.72 138.49 38.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.23 -103.38 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -119.08 -62.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -49.88 -44.35 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.483 ' SD ' HD11 ' A' ' 78' ' ' ILE . 26.2 mtt -53.21 -50.77 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.42 -43.64 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.85 -26.91 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -86.47 -45.13 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -22.73 51.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.2 p -83.96 -49.65 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -48.98 -36.95 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.24 -9.65 17.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 61.6 34.08 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.0 t -40.82 129.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -131.1 173.24 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.42 132.01 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.98 -29.57 5.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.6 m-20 -88.07 171.95 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.86 113.7 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.677 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.6 pp -118.52 149.01 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.866 HG23 HD11 ' A' ' 81' ' ' LEU . 15.4 p -98.43 161.79 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 48' ' ' TYR . 68.6 mt -131.04 112.08 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.54 106.19 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -71.5 -36.71 71.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.6 -40.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -122.95 -38.04 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.15 4.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -105.55 151.28 24.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 70' ' ' THR . 19.6 mt -119.46 122.47 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -107.23 154.01 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.589 ' HG3' HG22 ' A' ' 69' ' ' ILE . 13.1 tttm -105.07 136.58 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.866 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.2 mm -134.5 146.03 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 73' ' ' LYS . 1.9 mt -147.99 129.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' HG22 ' A' ' 70' ' ' THR . 30.5 tt0 -115.86 129.93 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' HA3' HD23 ' A' ' 39' ' ' LEU . . . -149.69 159.84 28.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -80.69 104.44 11.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 21' ' ' ILE . 48.7 t -42.79 127.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 92.8 t -111.07 -49.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.68 137.38 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 56.5 mt -126.27 95.34 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -86.54 147.17 26.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mttp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -147.57 150.35 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.0 167.88 35.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -126.82 119.48 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -106.61 139.49 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -127.05 119.92 27.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -109.86 144.38 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 34.2 ttpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.707 0.289 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -106.83 138.02 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 m -123.62 136.09 54.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -110.78 132.2 59.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.62 135.31 54.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -75.26 121.39 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 37' ' ' LEU . 44.5 mt -96.25 125.51 40.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.36 -127.7 5.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 m -100.64 -68.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.85 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.85 -46.15 58.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.4 -43.56 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -49.01 -34.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -72.37 -40.57 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.18 -17.43 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.9 p -92.06 -45.0 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.45 6.07 47.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp 40.61 52.5 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.704 HG11 HG21 ' A' ' 69' ' ' ILE . 87.2 t -62.77 130.81 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.8 171.52 13.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.25 146.76 54.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.01 -28.63 14.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.36 164.33 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.9 t -107.37 113.98 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.704 HG21 HG11 ' A' ' 63' ' ' VAL . 2.6 pp -113.92 141.57 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 HD11 ' A' ' 81' ' ' LEU . 19.2 p -96.8 161.52 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.7 mt -132.07 124.87 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -107.34 100.45 9.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HE3' HD11 ' A' ' 14' ' ' ILE . 37.4 mttt -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.4 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -122.68 -11.59 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.82 16.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.65 156.64 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' THR . 23.0 mt -121.44 143.16 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -129.14 153.36 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.45 141.48 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 70' ' ' THR . 1.9 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' ' OD2' ' A' ' 72' ' ' ASP . 4.6 mm -137.39 146.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -149.39 114.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 70' ' ' THR . 12.6 tt0 -102.92 124.73 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.76 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -137.77 166.25 25.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 29.9 tt0 -93.1 106.87 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.928 HG11 HD11 ' A' ' 21' ' ' ILE . 4.0 t -43.11 110.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' GLU . 92.4 t -101.6 -52.15 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -141.79 138.34 32.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.928 HD11 HG11 ' A' ' 18' ' ' VAL . 50.2 mt -130.25 110.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -117.75 134.38 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -143.0 154.23 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -161.0 162.07 33.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 47' ' ' ILE . 18.8 ttpt -116.47 130.14 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.635 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.1 tp -124.09 145.3 49.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 89.1 m -128.23 126.38 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.76 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.1 mp -130.19 136.13 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 14.2 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.736 0.303 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 40.8 mt-10 -92.65 159.52 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.7 m -150.2 134.17 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 36' ' ' LYS . 7.7 mt -82.77 126.61 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -104.49 117.59 34.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.16 116.98 4.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.1 mt -98.01 162.61 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.3 -111.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 m -120.09 -36.6 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -76.57 -41.4 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.15 -43.47 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.27 -42.77 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -46.2 -27.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.9 m -83.14 -49.54 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.8 -12.08 9.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.3 p -93.79 -51.6 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -52.71 -27.87 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LYS . 5.8 m-20 -120.96 11.11 10.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ASP . 30.4 mmtm 35.11 45.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.45 134.64 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -130.25 177.29 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.78 141.76 56.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.52 -30.55 8.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.6 m-20 -87.55 171.12 10.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.11 115.63 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -120.37 147.66 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 1.084 HG23 HD11 ' A' ' 81' ' ' LEU . 58.8 p -95.91 171.69 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.76 108.57 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -89.77 99.89 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.35 -37.36 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.5 -56.89 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 77' ' ' LYS . 8.8 t -121.64 14.58 10.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.6 25.38 55.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 75' ' ' THR . 7.9 mmtp -85.51 155.46 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 70' ' ' THR . 45.3 mt -129.2 134.63 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -123.97 152.32 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HG3' HG22 ' A' ' 69' ' ' ILE . 3.5 ttpm? -100.43 135.84 41.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.084 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -79.27 -45.03 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 t -46.46 127.27 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.37 135.57 4.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -150.33 169.32 21.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -78.46 90.2 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.0 -110.52 0.8 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.7 tttp 59.13 45.84 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -87.6 35.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 114.28 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.4 m -117.29 138.35 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.57 35.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mm -139.66 138.69 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.534 HD11 ' HD2' ' A' ' 73' ' ' LYS . 1.9 mt -136.26 127.26 42.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.79 ' HB2' HG22 ' A' ' 70' ' ' THR . 36.2 tt0 -120.5 127.02 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.765 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -146.23 177.59 24.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.76 105.68 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.774 HG11 HD11 ' A' ' 21' ' ' ILE . 11.7 t -41.44 98.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.68 -56.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.35 150.07 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.774 HD11 HG11 ' A' ' 18' ' ' VAL . 20.2 mt -132.91 98.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.41 138.1 31.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -127.92 119.42 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -88.09 132.94 34.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -87.12 155.73 54.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . 54.0 Cg_endo -69.74 -7.02 19.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . -35.84 -43.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 m -158.46 141.46 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.81 -110.17 0.6 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 p -121.36 -48.32 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 -62.31 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.763 ' O ' HG13 ' A' ' 34' ' ' VAL . 17.8 m -49.56 123.42 7.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.897 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -48.52 122.8 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 32' ' ' SER . 2.2 m -132.07 139.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.03 171.72 26.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -128.93 122.49 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 50' ' ' LEU . 8.7 tp -113.1 140.77 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 39' ' ' LEU . 77.4 m -122.31 130.6 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.0 mp -132.57 137.68 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -90.21 99.75 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 p -127.02 135.48 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 42' ' ' THR . 29.1 m 62.78 54.84 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 48.17 25.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -153.9 144.97 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -99.53 140.06 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -130.53 134.69 47.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.36 142.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' A' ' 14' ' ' ILE . 55.0 m-85 -127.05 132.74 50.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.97 121.81 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 37' ' ' LEU . 1.8 mt -99.75 127.85 45.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.72 -126.02 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -110.82 -19.74 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -94.25 -28.27 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.3 mtt -69.96 -33.65 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.21 -49.28 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -46.1 -33.64 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.4 m -71.46 -40.01 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -71.72 -18.2 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.8 p -89.04 -53.31 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -48.83 -34.36 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.24 5.89 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 69' ' ' ILE . 81.6 t -55.38 126.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -123.92 174.91 7.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.76 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.38 -31.29 7.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.9 m-20 -84.46 172.08 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 81' ' ' LEU . 24.6 t -116.68 120.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -127.03 156.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 1.076 HG23 HD11 ' A' ' 81' ' ' LEU . 40.6 p -107.07 169.42 8.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 37' ' ' LEU . 46.8 mt -140.79 116.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.3 t0 -94.58 105.34 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.534 ' HD2' HD11 ' A' ' 14' ' ' ILE . 12.6 mtpt -74.6 -21.2 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.1 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -105.89 -18.32 14.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 81.76 26.92 48.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -109.88 155.47 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.691 0.282 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 70' ' ' THR . 34.9 mt -119.51 141.8 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 m -128.33 152.95 47.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -101.82 138.56 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -116.69 -37.65 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.83 -102.54 0.9 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -115.91 175.58 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.2 t -151.84 166.34 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.63 98.38 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.4 m -95.1 134.85 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.186 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -91.62 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.16 152.23 36.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -88.39 129.86 35.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -119.7 -55.7 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.33 -94.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 110.82 2.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.4 p -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -121.11 -45.86 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 p -69.07 105.51 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -92.69 174.75 7.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.96 -151.2 6.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -134.49 168.26 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -173.45 171.99 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.04 -155.8 26.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.77 -33.95 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -126.84 131.53 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.29 144.48 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.69 112.71 25.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.794 ' OE2' ' HB2' ' A' ' 74' ' ' ALA . 10.3 pt-20 -87.79 34.9 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.02 144.64 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.68 132.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HB2' HG22 ' A' ' 70' ' ' THR . 47.4 tt0 -119.74 120.65 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.648 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.78 168.1 26.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.31 106.87 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 21' ' ' ILE . 6.6 t -41.4 114.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.1 t -100.55 -52.72 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -143.45 139.56 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.744 HD11 HG11 ' A' ' 18' ' ' VAL . 82.8 mt -126.21 97.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.7 mm100 -100.35 148.3 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.1 mm -136.45 125.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' HG23 ' A' ' 34' ' ' VAL . 10.7 m-20 -88.63 114.99 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.37 156.55 62.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.63 18.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.23 119.19 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.9 p 43.03 40.57 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.85 157.58 8.69 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.7 m -125.66 150.0 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.131 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.51 -102.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 34' ' ' VAL . 14.4 m -123.19 99.43 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . 11.2 mtpt -43.89 140.32 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 24' ' ' ASP . 4.0 m -134.22 155.65 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -153.85 160.65 29.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -125.39 130.2 51.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 39' ' ' LEU . 6.0 tp -127.13 140.65 52.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' LEU . 62.8 m -120.98 128.61 52.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.5 mp -127.88 137.52 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -90.28 99.72 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' HA3' ' A' ' 16' ' ' GLY . 1.1 p -128.37 138.96 52.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.41 55.06 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 48.1 25.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . 11.5 ptt? -153.02 148.65 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.77 138.83 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -130.49 147.65 52.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.39 146.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 21.2 m-85 -122.27 135.5 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.28 112.83 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 35' ' ' GLY . 24.8 mt -96.56 150.77 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . -112.76 -108.94 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -121.66 -50.05 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -65.83 -34.71 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -61.69 -38.67 88.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 59' ' ' THR . 91.5 mt -70.23 -45.35 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -48.49 -31.49 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -74.22 -47.92 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 HD13 ' A' ' 78' ' ' ILE . 6.3 mt -57.62 -15.88 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 55' ' ' ILE . 18.1 p -91.42 -56.11 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -45.49 -31.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -113.39 -4.66 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm 52.93 49.5 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 69' ' ' ILE . 40.7 t -61.17 131.05 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 mm-40 -131.43 -179.09 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.22 151.45 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -27.68 18.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.0 m-20 -90.63 171.97 9.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 81' ' ' LEU . 20.2 t -115.19 122.65 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.905 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -130.37 147.52 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.954 HG23 HD11 ' A' ' 81' ' ' LEU . 21.5 p -101.64 165.19 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 54.7 mt -134.31 107.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -89.2 101.2 13.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -64.33 -41.73 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.794 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . . . -48.07 -49.4 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -100.08 -9.53 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.5 36.0 92.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -121.93 156.09 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.478 HD13 HD21 ' A' ' 58' ' ' LEU . 25.2 mt -111.4 129.38 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -115.24 152.8 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.8 ttpm? -106.38 139.28 41.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.954 HD11 HG23 ' A' ' 70' ' ' THR . 0.3 OUTLIER -123.15 145.12 48.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' LEU . . . -34.0 -81.17 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -169.2 172.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -57.79 130.33 45.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.24 -66.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.7 m -63.07 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -116.47 -18.42 10.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 42.25 42.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -65.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.0 p -91.27 169.87 10.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.1 -171.93 15.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.54 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 151.86 69.54 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t -106.91 132.09 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 m -96.45 152.13 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.406 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -156.1 176.83 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -103.97 146.77 28.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.09 52.99 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -159.67 139.52 11.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -144.24 129.75 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.4 72.15 0.83 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -144.85 156.42 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.705 0.288 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.12 119.48 12.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -170.74 142.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -147.75 160.89 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -127.47 26.59 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 72' ' ' ASP . 3.6 mm -136.13 141.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -144.3 123.31 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.804 ' HB2' HG22 ' A' ' 70' ' ' THR . 10.3 tt0 -112.84 135.99 52.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.554 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -153.33 169.3 32.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 68' ' ' VAL . 35.6 tt0 -84.55 113.26 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 65' ' ' ALA . 60.3 t -48.3 114.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.8 t -99.93 -44.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -157.24 150.2 23.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.0 mt -140.35 118.93 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.749 ' C ' HD12 ' A' ' 23' ' ' ILE . 36.3 mt-30 -125.91 152.13 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.3 mp -140.7 121.96 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -95.68 118.82 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -78.93 154.28 77.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 136.06 32.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' THR . . . -45.82 168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ALA . 35.3 p -34.67 107.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.96 -141.88 13.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 p -134.32 148.07 50.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.98 -127.29 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -109.72 170.93 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.932 0.396 . . . . 0.0 110.804 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -121.56 131.51 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.0 m -132.31 121.07 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.27 169.18 14.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' CE ' HG21 ' A' ' 47' ' ' ILE . 2.4 mtpm? -127.51 125.79 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.9 tp -119.74 144.64 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.5 ' H ' HD12 ' A' ' 37' ' ' LEU . 86.5 m -129.58 112.21 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.89 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -111.92 144.68 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -99.98 99.65 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.0 t -135.52 150.48 49.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m 59.47 54.2 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 47.36 25.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' THR . 3.6 ptt? -156.38 168.32 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -115.46 127.76 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -111.79 138.68 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.557 HG21 ' CE ' ' A' ' 36' ' ' LYS . 4.7 mp -95.05 116.3 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -106.78 127.58 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -79.17 128.0 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.2 mt -102.08 149.33 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -103.42 -121.96 5.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -105.73 -44.69 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.83 -50.08 46.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 mtt -42.94 -49.83 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 51' ' ' GLY . 61.8 mt -60.99 -51.95 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -40.45 -31.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -80.49 -44.24 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 78' ' ' ILE . 5.4 mt -68.73 -18.76 64.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.4 p -86.37 -44.57 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.2 -37.28 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.5 5.23 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 40.26 54.28 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.67 130.75 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.36 164.01 23.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -55.54 149.56 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.34 -36.77 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.66 172.02 13.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 17' ' ' GLU . 94.6 t -123.2 111.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 78' ' ' ILE . 6.1 pt -111.08 171.63 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.956 HG23 HD11 ' A' ' 81' ' ' LEU . 17.9 p -122.55 172.75 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.8 mt -141.09 115.3 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' HA ' HD13 ' A' ' 13' ' ' ILE . 8.4 t0 -100.46 105.49 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ALA . 39.6 mttp -67.88 -37.75 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.21 -54.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -111.98 -25.97 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.14 27.87 10.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -106.12 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 70' ' ' THR . 20.8 mt -120.16 136.23 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t -117.53 153.42 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.96 141.08 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 70' ' ' THR . 1.7 mt -124.87 45.9 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.1 -145.31 34.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -94.02 -11.01 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.847 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -174.81 145.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -94.71 99.97 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.3 m -65.75 120.71 13.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 173.18 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.92 94.69 5.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -129.42 126.17 38.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.9 p -88.53 113.17 23.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.3 171.41 43.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 179.21 3.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -147.31 135.46 21.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -58.28 87.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -155.12 169.54 23.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -107.39 145.85 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.29 -129.32 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -158.1 171.73 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -82.82 166.76 18.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.48 -105.68 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -55.33 124.49 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -111.81 118.96 37.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -174.02 135.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 p -117.53 108.22 15.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 13' ' ' ILE . 26.5 mt-10 -111.99 30.48 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 12' ' ' GLU . 3.2 mm -141.51 128.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.0 116.18 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.686 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.1 OUTLIER -106.57 140.13 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 165.98 33.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.02 107.02 13.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 65' ' ' ALA . 48.9 t -43.04 106.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 45' ' ' GLU . 60.0 t -86.92 -52.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 4.6 tp10 -153.88 148.65 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 78.5 mt -133.14 129.36 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.703 ' C ' HD12 ' A' ' 23' ' ' ILE . 9.3 mt-30 -136.77 151.32 49.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.703 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.5 mp -137.66 140.04 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.94 124.86 52.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -93.69 144.02 27.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.36 64.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.57 -53.32 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -71.91 168.67 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.8 -83.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.8 m -81.3 121.71 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.24 -153.85 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.3 p -134.78 173.99 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' A' ' 52' ' ' THR . 39.2 mtmt -123.33 133.86 54.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' VAL . 5.0 m -132.54 116.1 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.69 156.55 15.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -116.8 117.94 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 50' ' ' LEU . 6.3 tp -113.79 146.67 39.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -131.28 115.72 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 37' ' ' LEU . 7.5 mp -115.65 138.82 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 36.9 ttmt -89.72 100.1 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -130.06 136.29 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 42' ' ' THR . 20.6 m 64.38 54.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 48.15 25.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -156.66 152.7 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' HG21 ' A' ' 19' ' ' VAL . 26.7 mt-10 -103.17 140.27 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -128.03 135.16 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.03 127.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.17 121.76 44.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -62.33 114.15 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 37' ' ' LEU . 79.7 mt -90.15 122.0 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.13 171.21 38.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' HE3' ' A' ' 33' ' ' LYS . 61.6 m -53.4 -35.4 60.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -45.67 52.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 mtt -53.95 -47.89 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mt -57.25 -50.91 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -46.61 -23.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 m -89.11 -38.45 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 78' ' ' ILE . 5.0 mt -70.83 -15.54 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 p -89.13 -38.19 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -66.07 -37.06 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -2.64 52.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 mttt 53.97 33.64 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.0 138.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -141.78 165.12 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -61.72 145.85 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.65 29.83 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.73 170.96 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 84' ' ' SER . 68.9 t -117.3 112.16 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -116.84 154.54 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.915 HG23 HD11 ' A' ' 81' ' ' LEU . 41.4 p -104.17 166.17 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.3 mt -136.07 112.67 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.17 105.62 17.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -70.06 -27.22 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.48 16.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.474 HG23 ' HG2' ' A' ' 77' ' ' LYS . 15.1 t -110.97 -16.51 13.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.74 29.08 30.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG2' HG23 ' A' ' 75' ' ' THR . 20.4 mmtp -101.49 158.26 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 70' ' ' THR . 22.1 mt -127.43 126.62 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -112.75 153.46 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HG3' HG22 ' A' ' 69' ' ' ILE . 16.0 tttm -102.75 139.96 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.915 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -125.05 -45.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.51 -78.3 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.461 ' N ' HG21 ' A' ' 68' ' ' VAL . 74.5 p -82.84 153.16 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 87' ' ' ARG . 96.6 m-85 -70.99 141.23 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.5 p -141.26 126.62 18.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -160.51 151.64 19.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.26 144.82 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -66.25 -39.9 89.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -154.76 157.98 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.43 137.52 37.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.1 2.99 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.2 p -151.09 156.48 41.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -140.54 151.27 44.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -70.02 92.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -53.02 176.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.06 57.87 4.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -156.16 167.86 29.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -163.58 122.48 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -98.6 -90.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -57.26 81.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . 9.9 tt0 -62.0 108.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -90.43 121.79 32.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 11' ' ' THR . 9.1 m -95.18 28.81 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 33.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -145.04 140.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -132.63 114.19 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.649 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -104.07 141.88 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.91 174.79 41.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -90.05 119.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 69' ' ' ILE . 3.8 t -52.74 108.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 45' ' ' GLU . 78.4 t -92.33 -53.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -149.95 141.83 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 18' ' ' VAL . 46.9 mt -125.54 100.25 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -89.04 155.84 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm -131.32 120.77 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.738 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.4 t70 -93.21 104.72 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -44.48 149.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ALA . 53.6 Cg_endo -69.69 2.33 3.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.713 2.275 . . . . 0.0 112.347 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . -34.92 -42.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -75.81 121.02 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' THR . . . -56.59 -45.4 90.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 38.7 p -34.3 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.94 150.85 20.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 m -93.28 -19.03 21.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.969 0.414 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HB3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -174.03 136.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.738 HG23 ' HB3' ' A' ' 24' ' ' ASP . 11.5 m -155.35 162.55 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' HD11 ' A' ' 55' ' ' ILE . . . -157.27 151.85 23.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 47' ' ' ILE . 45.5 tttt -112.62 118.1 34.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 50' ' ' LEU . 10.3 tp -110.41 138.08 47.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 125.28 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.9 mp -116.1 152.07 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -89.97 101.02 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.6 OUTLIER -91.05 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 43' ' ' GLU . 93.8 m -37.62 116.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 42' ' ' THR . 13.6 mt-10 31.79 41.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 41' ' ' THR . 2.0 ptm -167.48 158.75 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' A' ' 19' ' ' VAL . 3.8 tt0 -123.76 117.07 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 m -105.49 150.64 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.614 HG21 ' HE2' ' A' ' 36' ' ' LYS . 16.2 mt -116.42 116.99 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.749 ' HE2' HD22 ' A' ' 39' ' ' LEU . 15.2 m-85 -97.05 142.32 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.48 128.39 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 37' ' ' LEU . 13.7 mt -99.1 119.01 37.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.33 168.75 35.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.859 HG23 ' HB3' ' A' ' 33' ' ' LYS . 1.7 m -52.37 -19.25 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.365 . . . . 0.0 111.136 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -93.71 -35.62 12.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.682 ' HE2' HG23 ' A' ' 71' ' ' ILE . 20.1 mtt -63.95 -44.88 91.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.672 HD11 ' C ' ' A' ' 34' ' ' VAL . 66.7 mt -62.42 -47.46 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.26 -21.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -91.64 -36.29 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 58' ' ' LEU . 5.7 mt -68.27 -11.56 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.3 p -90.25 -43.42 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 18.3 pttp -63.71 -35.08 79.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 63.3 m-20 -102.27 6.22 40.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt 38.03 47.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 69' ' ' ILE . 87.6 t -55.37 125.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -121.47 169.9 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 163.38 11.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.21 -25.77 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.8 m-20 -84.36 171.82 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 81' ' ' LEU . 45.4 t -115.96 118.78 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.799 HG22 ' HG2' ' A' ' 80' ' ' LYS . 6.4 pt -123.84 159.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 1.042 HG23 HD11 ' A' ' 81' ' ' LEU . 18.7 p -115.82 160.38 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.682 HG23 ' HE2' ' A' ' 54' ' ' MET . 20.4 mt -135.41 110.83 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.2 t70 -92.08 105.35 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -65.77 -28.57 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -66.6 -58.58 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -87.98 -11.76 46.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.72 31.46 80.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -118.19 157.31 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 70' ' ' THR . 33.1 mt -120.57 139.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 m -132.08 151.95 51.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.799 ' HG2' HG22 ' A' ' 69' ' ' ILE . 20.3 mtpt -98.11 143.06 29.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.042 HD11 HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER -128.04 149.3 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.11 -50.23 6.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -170.79 172.62 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -82.3 135.23 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -112.72 137.13 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -137.27 161.93 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -115.18 156.81 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.63 132.15 35.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -129.82 90.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.9 m -40.24 134.21 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -43.57 142.55 2.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 161.01 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -98.33 138.09 36.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.2 -153.66 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -171.16 164.03 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -98.89 -46.0 5.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.32 -86.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -88.4 121.77 31.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -168.88 114.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.88 101.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 13' ' ' ILE . 40.7 m -58.67 122.06 12.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' CD ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 pt-20 -86.21 30.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.553 ' H ' HG22 ' A' ' 11' ' ' THR . 25.3 mt -144.01 138.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mt -136.81 120.59 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.695 ' HB2' HG22 ' A' ' 70' ' ' THR . 29.4 tt0 -108.37 140.59 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.674 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -159.38 173.43 36.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' HG22 ' A' ' 68' ' ' VAL . 36.9 tt0 -89.59 109.03 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.4 t -50.64 113.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.36 -53.07 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -142.94 143.61 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.556 HD11 HG11 ' A' ' 18' ' ' VAL . 88.2 mt -131.87 96.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -84.27 142.96 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mm -140.2 117.77 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -103.43 109.8 21.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -64.78 149.81 95.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.41 50.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.64 174.2 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -73.11 115.53 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.96 -119.34 1.91 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.6 p -132.1 140.22 48.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 170.09 177.77 40.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -122.21 141.66 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.412 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HD2' HG23 ' A' ' 52' ' ' THR . 55.6 mttm -58.51 148.04 29.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 m -140.1 146.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.38 154.92 26.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 tttm -129.59 119.07 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.358 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 39' ' ' LEU . 4.8 tp -113.9 143.65 44.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.0 m -130.89 118.82 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.507 HD22 ' HE2' ' A' ' 48' ' ' TYR . 7.6 mp -111.67 138.12 48.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -89.96 100.93 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.5 p -95.59 169.82 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' GLU . 84.0 m -37.81 111.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' THR . 14.4 mm-40 34.45 42.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -165.94 132.27 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -112.45 115.72 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -107.55 135.24 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.606 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 13.4 mt -103.3 109.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.507 ' HE2' HD22 ' A' ' 39' ' ' LEU . 25.7 m-85 -92.25 139.85 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.5 p-10 -85.09 158.07 20.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 49' ' ' ASP . 23.3 mt -131.1 161.34 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -123.81 -125.85 3.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HD2' ' A' ' 33' ' ' LYS . 29.0 m -101.95 -41.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -77.03 -46.91 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.4 mtt -51.37 -35.35 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 81.5 mt -69.46 -49.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.44 -27.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -76.52 -40.57 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 78' ' ' ILE . 6.5 mt -74.45 -14.1 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.1 p -93.89 -40.57 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -30.63 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 5.4 m-20 -105.0 3.71 30.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt 43.27 49.3 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG22 ' HZ2' ' A' ' 80' ' ' LYS . 79.2 t -62.97 131.83 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -130.27 170.16 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 148.11 43.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.62 -35.05 5.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -88.87 130.47 35.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' GLY . 95.1 t -80.46 113.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.6 pp -112.33 149.56 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.863 HG23 HD11 ' A' ' 81' ' ' LEU . 41.3 p -99.62 169.56 9.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.2 mt -142.14 109.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.6 t0 -90.58 106.0 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -67.16 -31.86 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 12' ' ' GLU . . . -58.89 -54.11 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -93.92 -14.28 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.3 32.26 81.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.66 153.02 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 69' ' ' ILE . 30.4 mt -113.63 127.91 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 m -121.31 134.12 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -90.15 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.863 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -121.75 -46.92 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.71 -125.11 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.23 133.95 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.5 p -72.52 90.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 17.8 p90 -61.4 120.5 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -151.02 174.04 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.71 145.93 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.31 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -117.92 135.41 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -96.04 -57.36 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.89 145.97 47.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.51 17.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -50.71 120.69 4.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -53.8 138.87 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m -39.26 107.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -76.23 103.06 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.58 -68.12 1.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -96.54 110.05 22.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -101.98 131.98 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.22 -110.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -117.52 143.7 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -86.62 98.42 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -133.37 128.67 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 12' ' ' GLU . 16.5 m -106.64 155.89 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' N ' HG22 ' A' ' 11' ' ' THR . 1.3 mp0 -86.65 35.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.2 mt -144.94 144.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -144.15 128.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.741 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.55 138.46 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.651 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -155.63 162.13 30.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.03 106.63 14.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 21' ' ' ILE . 97.1 t -46.59 108.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 t -93.47 -53.09 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.64 147.81 38.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 18' ' ' VAL . 88.7 mt -134.04 105.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -103.86 140.77 37.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.37 109.79 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.58 ' HB2' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -73.43 107.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -81.31 144.14 53.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.46 7.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.4 m -141.33 152.41 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 150.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -100.97 145.86 28.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.87 -106.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.585 ' O ' HG13 ' A' ' 34' ' ' VAL . 75.1 m -146.22 121.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -44.95 138.75 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 32' ' ' SER . 8.0 m -138.06 154.04 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.89 168.34 36.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -129.94 144.83 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 39' ' ' LEU . 10.5 tp -138.59 141.58 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.626 ' O ' HD12 ' A' ' 39' ' ' LEU . 68.8 m -122.7 130.81 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.807 ' CD1' HD11 ' A' ' 37' ' ' LEU . 9.1 mp -131.65 128.36 38.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.48 115.35 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 43' ' ' GLU . 13.2 p -85.68 169.72 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -44.43 -20.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 41' ' ' THR . 13.0 mt-10 -113.91 -76.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -127.3 177.15 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -98.61 163.28 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.7 m -150.31 138.52 20.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.3 mt -82.87 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -120.62 116.81 26.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -62.18 114.57 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 37' ' ' LEU . 52.0 mt -97.69 149.27 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.19 -118.0 3.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -109.94 -54.44 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -60.89 -39.38 89.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.7 mmt -54.47 -50.02 68.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.31 -44.46 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -44.52 -26.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -87.86 -41.43 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 78' ' ' ILE . 6.8 mt -66.09 -14.63 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 p -92.05 -44.87 8.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -43.94 94.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.1 m-20 -91.95 9.59 32.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 36.59 51.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 69' ' ' ILE . 60.4 t -62.24 143.85 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 21' ' ' ILE . 42.2 mt-30 -150.14 -179.49 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 138.86 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.36 -31.19 6.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.3 m-20 -98.04 130.99 44.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.866 0.365 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 84' ' ' SER . 78.0 t -79.96 113.48 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.548 HG22 ' HG3' ' A' ' 80' ' ' LYS . 2.7 pp -111.0 161.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.787 HG23 HD11 ' A' ' 81' ' ' LEU . 15.5 p -112.67 169.42 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.27 107.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.7 t0 -97.1 107.93 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -65.02 -39.84 94.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.12 -59.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -105.75 -19.2 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 82.86 28.99 36.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -100.01 153.35 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 58' ' ' LEU . 36.6 mt -122.89 117.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -106.64 153.23 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HG3' HG22 ' A' ' 69' ' ' ILE . 25.1 ttmt -103.1 138.68 39.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.787 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -119.79 159.17 25.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.79 -117.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -110.12 116.34 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.556 ' HB3' HG21 ' A' ' 68' ' ' VAL . 29.1 t -87.82 81.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 11.2 p90 -141.5 112.12 7.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -102.04 152.69 20.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -106.68 103.68 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -170.2 119.54 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -71.62 156.86 38.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.5 t -140.37 158.41 44.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.75 -83.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -82.83 90.22 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t -42.69 106.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -162.98 152.2 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -113.34 -24.66 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.86 121.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 66.3 m -138.61 137.79 37.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 8.3 t -35.47 145.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.86 -168.17 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.4 -12.89 44.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LYS . 60.3 mm-40 35.26 45.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -109.43 46.66 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLU . 2.0 m 37.9 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -83.86 35.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.91 130.13 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.59 113.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.95 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -114.7 166.21 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.675 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -175.35 168.14 40.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -82.54 104.66 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.748 HG11 HD11 ' A' ' 21' ' ' ILE . 5.0 t -49.87 129.32 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.34 -47.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.29 138.17 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.748 HD11 HG11 ' A' ' 18' ' ' VAL . 90.1 mt -130.63 110.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -103.9 147.08 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mm -139.02 117.18 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.01 129.16 40.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -87.45 143.69 34.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.55 12.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.35 -179.64 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -71.32 -15.36 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.43 -89.4 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -155.71 141.73 18.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.66 130.4 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 158.89 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.988 0.423 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -78.23 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.5 138.37 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.05 146.04 17.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 tmmm? -111.38 120.91 43.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 HG12 ' A' ' 21' ' ' ILE . 3.1 tp -115.38 130.58 56.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.429 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 89.5 m -119.33 122.86 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.675 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.2 mp -113.47 147.37 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -99.44 100.01 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' THR . 4.1 p -92.14 169.56 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' THR . 1.4 t -33.31 109.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' THR . 9.9 mm-40 35.66 48.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.522 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -167.09 164.54 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -138.62 133.59 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -129.88 146.72 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.4 mp -111.6 110.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HB2' HD23 ' A' ' 37' ' ' LEU . 83.5 m-85 -91.67 117.04 29.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -66.3 131.72 46.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.2 126.3 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.54 -124.0 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.8 m -114.01 -34.99 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -80.72 -43.36 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.4 mtt -53.62 -37.96 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . 61.3 mt -67.1 -52.71 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -39.73 -27.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m -85.69 -45.76 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 78' ' ' ILE . 6.6 mt -58.12 -11.75 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -93.45 -44.08 8.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -64.54 -23.37 67.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.702 ' CG ' HG23 ' A' ' 63' ' ' VAL . 12.5 p30 -106.28 0.37 25.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 46.6 42.72 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.702 HG23 ' CG ' ' A' ' 61' ' ' ASP . 92.8 t -55.9 146.18 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.05 175.87 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.79 140.3 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.92 -28.23 10.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.65 172.06 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.4 t -119.19 113.44 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.669 HG22 ' HG2' ' A' ' 80' ' ' LYS . 2.5 pp -112.71 154.59 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.95 HG22 ' HB3' ' A' ' 15' ' ' GLU . 28.2 p -107.34 166.31 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -135.98 112.11 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 t0 -96.4 105.95 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -68.11 -36.59 80.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.74 -53.9 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -107.84 -37.46 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 102.14 33.17 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -107.72 153.1 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 58' ' ' LEU . 19.6 mt -120.5 128.18 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.2 m -119.87 153.08 36.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HG2' HG22 ' A' ' 69' ' ' ILE . 7.2 mtpm? -98.53 143.12 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.897 HD11 HG23 ' A' ' 70' ' ' THR . 2.9 mt -118.2 -51.28 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.37 -69.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -132.65 168.71 17.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.2 p -110.24 -59.22 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 64.37 37.75 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.4 m -127.27 111.79 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -142.9 133.21 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.57 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.65 -46.38 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -164.47 130.25 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.6 145.95 5.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -40.23 5.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.0 m -43.26 -72.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -72.9 156.92 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -43.31 -49.08 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -76.17 96.25 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.57 103.39 2.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -152.21 161.32 42.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -84.03 94.54 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.9 174.41 26.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 42.14 25.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -133.25 98.81 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -133.08 145.71 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 p -38.33 129.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 13' ' ' ILE . 6.1 mp0 -82.34 43.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 72' ' ' ASP . 5.7 mm -144.77 133.67 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.466 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 1.7 mm -118.23 154.11 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -149.61 118.51 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.576 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -153.78 162.55 30.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 42.6 tt0 -83.14 103.98 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG11 HD11 ' A' ' 21' ' ' ILE . 19.9 t -36.91 106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -90.46 -52.62 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -146.98 147.31 30.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.688 HD11 HG11 ' A' ' 18' ' ' VAL . 77.2 mt -133.06 97.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -98.78 155.62 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -126.39 117.3 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.721 ' HB3' HG23 ' A' ' 34' ' ' VAL . 14.0 t0 -72.2 134.04 45.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -95.27 142.96 25.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.44 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.8 -57.95 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 t -46.28 -43.68 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' THR . . . 150.61 -39.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 25.5 p -36.39 120.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.44 -72.11 1.02 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -49.53 153.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 19.1 tptt -78.9 134.12 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.721 HG23 ' HB3' ' A' ' 24' ' ' ASP . 23.9 m -139.34 148.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 50' ' ' LEU . . . -143.02 166.86 26.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 32.5 tttp -124.0 118.19 26.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.4 tp -116.03 145.15 43.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -126.81 124.93 40.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.621 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.1 mp -128.26 138.21 52.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 28.5 ttmt -89.87 100.69 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 44' ' ' MET . 2.1 p -130.08 138.04 50.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m 62.42 49.72 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 52.19 24.94 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 41' ' ' THR . 5.1 ptt? -154.54 143.21 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 28.3 mt-10 -96.48 132.64 41.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.8 m -125.84 138.71 53.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 47' ' ' ILE . 4.0 mp -87.37 133.99 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.466 ' CZ ' HG21 ' A' ' 14' ' ' ILE . 95.9 m-85 -116.88 122.81 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -60.16 118.98 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 37' ' ' LEU . 70.3 mt -88.49 121.98 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.15 159.76 26.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -44.79 -30.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.86 -51.46 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.2 mtt -46.76 -50.79 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 59' ' ' THR . 92.6 mt -52.46 -53.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -41.92 -28.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t -80.99 -52.33 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -60.67 -11.16 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 55' ' ' ILE . 58.4 p -91.55 -47.9 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -55.14 -40.05 70.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.71 9.17 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 38.02 39.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 80' ' ' LYS . 77.1 t -38.4 127.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -120.84 161.63 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.49 155.76 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.48 -28.29 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -84.1 165.71 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -114.82 112.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.5 pp -115.21 149.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.7 p -102.86 166.67 10.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.34 108.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.3 t0 -91.62 105.16 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -68.18 -38.53 82.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.14 -57.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 t -108.0 -14.27 14.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 79.65 30.87 42.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -101.98 155.62 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 41.7 mt -121.83 123.23 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.7 m -110.75 153.14 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD2' HG22 ' A' ' 63' ' ' VAL . 13.3 tttm -107.38 138.7 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt -116.41 -51.33 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 121.24 164.59 12.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 27.2 ttt85 -34.71 149.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 t -83.13 95.25 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -93.01 126.83 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -158.6 146.43 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 5.5 mmm180 -73.0 147.63 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.66 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -86.57 115.53 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -40.84 -52.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.47 146.02 18.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 144.45 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.739 2.292 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t 60.8 44.65 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 m -99.17 119.67 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.457 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -115.09 177.32 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -126.46 -44.82 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.2 101.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -125.2 104.33 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -96.51 167.77 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 -82.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -146.91 148.3 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 130.65 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.07 146.59 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.7 p -121.58 112.45 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.57 39.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.1 mt -143.99 140.87 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -137.5 120.5 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.828 ' HB2' HG22 ' A' ' 70' ' ' THR . 26.2 tt0 -113.37 123.29 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -145.08 165.98 27.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.62 108.61 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 21' ' ' ILE . 11.9 t -42.3 107.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.539 HG11 ' OE1' ' A' ' 45' ' ' GLU . 60.1 t -90.46 -46.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -152.94 152.32 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 18' ' ' VAL . 52.5 mt -140.6 109.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -114.33 153.98 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.489 HD13 ' HA3' ' A' ' 35' ' ' GLY . 31.8 mm -127.73 109.01 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.9 t70 -75.31 104.57 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -97.14 136.85 21.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.17 34.81 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 106.31 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 28' ' ' THR . 18.5 m 55.37 41.11 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.75 116.21 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.9 m -79.85 108.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.354 . . . . 0.0 111.106 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.66 179.6 40.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.6 p -46.65 164.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.935 0.398 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -119.84 143.91 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 4.1 m -132.65 147.92 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -137.79 150.9 21.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -105.37 121.73 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.958 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.5 tp -113.92 145.89 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' HD12 ' A' ' 39' ' ' LEU . 87.4 m -130.31 122.91 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 16' ' ' GLY . 8.6 mp -122.3 139.16 54.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -89.77 100.92 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 44' ' ' MET . 47.7 p -122.37 147.68 45.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 42' ' ' THR . 25.6 m 47.51 47.17 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 56.47 25.04 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 41' ' ' THR . 7.8 ptt? -149.16 136.87 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' OE1' HG11 ' A' ' 19' ' ' VAL . 14.9 mt-10 -92.34 132.9 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.2 m -127.41 138.7 53.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.86 144.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 118.37 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.67 117.98 7.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 37' ' ' LEU . 63.4 mt -97.13 120.21 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' THR . . . -86.92 162.49 34.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.524 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' GLY . 92.8 m -36.62 -61.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.2 pttp -51.57 -58.94 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' LYS . 11.2 mtt -37.44 -48.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' SER . 94.8 mt -57.74 -49.72 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -39.68 -29.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.0 t -79.71 -49.9 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 78' ' ' ILE . 6.4 mt -55.58 -13.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 p -91.91 -50.1 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -48.14 -43.45 31.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 8.2 t0 -101.12 -1.56 33.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt 51.62 44.73 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 69' ' ' ILE . 77.9 t -50.71 138.2 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -136.79 178.63 6.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.83 147.98 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.35 -18.79 55.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.4 m-20 -96.29 170.69 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.92 113.74 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.573 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.1 pp -118.67 168.31 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 15' ' ' GLU . 70.5 p -121.13 170.75 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' CD2' ' A' ' 37' ' ' LEU . 20.4 mt -142.93 109.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.9 t70 -89.29 106.45 18.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -70.28 -29.98 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.68 -48.24 77.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -98.71 -13.19 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.36 27.11 72.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -113.73 153.0 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 70' ' ' THR . 19.9 mt -114.05 133.46 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -122.56 150.46 42.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CE ' ' OD2' ' A' ' 67' ' ' ASP . 83.9 tttt -105.97 136.45 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.6 HD11 ' CG2' ' A' ' 70' ' ' THR . 1.9 mt -112.3 -48.93 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 112.95 177.74 19.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' GLY . 17.1 tpt180 -37.84 118.62 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 t -54.06 148.46 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -70.2 -60.08 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.3 m -58.56 131.49 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -104.72 123.63 47.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.4 94.73 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ttt85 -94.23 81.23 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.2 m -109.64 170.45 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.79 -162.36 31.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 87.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -131.33 99.88 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -85.93 131.09 34.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -107.73 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -119.9 121.07 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.58 -174.66 14.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -99.7 160.75 14.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -122.47 145.21 48.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.28 138.87 14.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -52.05 -47.32 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -109.38 44.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -143.39 122.62 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -88.93 -7.04 56.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 61.07 42.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -144.79 140.36 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.51 121.24 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.857 ' HB2' HG22 ' A' ' 70' ' ' THR . 24.5 tt0 -115.18 143.19 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.606 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -162.14 174.79 38.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -89.84 105.6 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 67' ' ' ASP . 50.7 t -39.34 105.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG21 ' CD ' ' A' ' 45' ' ' GLU . 83.9 t -90.81 -55.02 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -142.61 143.2 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HG11 ' A' ' 18' ' ' VAL . 81.8 mt -129.11 95.17 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' NE2' ' HB3' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -88.34 142.21 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.54 132.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 34' ' ' VAL . 9.7 t70 -95.15 130.18 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -98.68 149.33 35.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CB ' ' HA ' ' A' ' 30' ' ' THR . 53.7 Cg_endo -69.75 -9.61 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.41 -55.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -94.32 -55.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.39 73.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.411 ' HA ' ' CB ' ' A' ' 26' ' ' PRO . 9.0 t -68.5 148.28 50.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.98 -106.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 34' ' ' VAL . 89.4 p -92.63 119.1 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.847 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -57.02 139.73 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 24' ' ' ASP . 25.9 m -145.52 140.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 162.25 29.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HD2' HG22 ' A' ' 47' ' ' ILE . 1.2 tppp? -120.9 150.19 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.6 tp -137.82 145.83 42.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 39' ' ' LEU . 58.1 m -127.74 127.94 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 16' ' ' GLY . 7.5 mp -131.41 129.25 41.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' CA ' ' HG3' ' A' ' 45' ' ' GLU . 32.4 ttpt -94.84 101.39 13.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 44' ' ' MET . 7.9 t -132.53 152.57 51.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 m 45.74 54.99 7.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 45.92 25.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' THR . 2.3 ttp -145.17 121.42 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' CD ' HG21 ' A' ' 19' ' ' VAL . 15.4 tt0 -99.69 114.42 27.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 m -105.84 149.77 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.517 HG22 ' HD2' ' A' ' 36' ' ' LYS . 65.6 mt -102.12 104.26 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 9.7 m-85 -83.77 131.2 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.9 136.27 33.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -108.2 172.81 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -137.82 -102.64 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.7 m -124.96 -47.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -39.87 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 mtt -61.61 -47.12 86.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 51' ' ' GLY . 95.3 mt -64.53 -45.05 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.62 -28.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.6 m -83.59 -47.2 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 HG21 ' A' ' 78' ' ' ILE . 8.6 mt -55.9 -13.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -90.3 -41.62 11.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -57.28 -49.58 75.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.43 -0.69 57.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.57 49.88 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.81 150.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -153.93 166.88 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.05 142.76 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.99 -29.51 11.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.2 m-20 -94.05 156.35 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 16' ' ' GLY . 86.3 t -103.4 115.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.657 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.3 pp -115.2 142.74 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.875 HG23 HD11 ' A' ' 81' ' ' LEU . 17.5 p -95.46 166.67 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 22.1 mt -141.37 109.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -88.17 106.8 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -65.4 -38.05 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.21 85.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.1 p -90.89 -12.11 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 56.7 36.45 71.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -122.46 158.05 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.775 HG21 HD21 ' A' ' 58' ' ' LEU . 60.2 mt -118.12 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -113.63 138.52 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.657 ' HA ' HG22 ' A' ' 69' ' ' ILE . 1.4 ttpm? -95.7 137.82 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 HG23 ' A' ' 70' ' ' THR . 5.2 mt -119.28 178.83 4.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.06 -87.81 1.07 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -132.55 126.83 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.494 ' OG ' HG11 ' A' ' 68' ' ' VAL . 2.1 m -62.52 164.29 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -49.29 -43.79 43.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -60.43 168.43 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -73.36 94.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.72 162.21 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -37.44 135.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.3 p -155.69 129.13 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.56 173.01 45.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -3.48 12.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.352 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -44.56 144.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 p -61.42 176.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -107.13 43.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 p -129.62 168.74 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.52 57.64 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -85.46 158.04 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 140.82 49.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.11 42.51 5.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -48.21 -42.4 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -51.68 151.27 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -156.59 -179.58 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p -84.56 179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 61.69 32.94 18.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -144.38 140.54 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.63 133.91 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 70' ' ' THR . 77.5 tt0 -114.33 146.28 40.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.562 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -168.49 159.85 33.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -80.76 109.69 15.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 21' ' ' ILE . 50.0 t -51.86 124.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 40' ' ' LYS . 92.4 t -108.82 -47.53 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -144.1 137.56 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 18' ' ' VAL . 66.8 mt -128.84 96.22 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -89.93 139.99 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.37 97.39 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.49 115.67 16.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -71.39 143.93 88.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 156.38 63.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 0.0 112.393 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.63 28.8 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -151.5 166.88 29.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.16 65.68 3.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 m -147.92 137.82 22.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 111.097 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.13 46.25 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -112.74 110.25 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -107.3 160.15 15.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -149.06 154.25 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.57 169.68 37.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CE ' HG21 ' A' ' 47' ' ' ILE . 11.0 mtpt -129.65 119.14 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' HD11 ' A' ' 50' ' ' LEU . 3.0 tp -111.41 139.23 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -128.22 122.18 31.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.7 mp -114.03 138.18 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 19' ' ' VAL . 34.7 ttmt -90.16 100.58 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 40.6 p -92.25 170.08 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' GLU . 95.5 m -38.71 114.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' THR . 4.6 mp0 33.42 40.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -164.32 144.46 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -116.83 137.99 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -121.27 151.89 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.521 HG21 ' CE ' ' A' ' 36' ' ' LYS . 5.3 mp -123.41 104.52 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -92.61 138.74 31.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.28 120.26 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 37' ' ' LEU . 56.0 mt -89.12 156.08 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.8 -127.89 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 m -101.66 -40.98 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -75.28 -44.49 45.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -53.81 -43.45 69.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' LEU . 83.0 mt -62.67 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.75 -28.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -84.94 -37.86 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.6 mt -71.8 -21.99 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -90.67 -48.77 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -29.76 17.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -112.55 -11.69 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mptt 63.75 38.55 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 69' ' ' ILE . 98.5 t -46.76 138.2 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -141.09 163.68 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.83 138.93 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.24 -36.03 4.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -91.37 132.94 35.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.402 HG11 ' OE2' ' A' ' 15' ' ' GLU . 81.2 t -79.98 112.93 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.572 HG21 HG11 ' A' ' 63' ' ' VAL . 2.7 pp -109.61 155.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 78' ' ' ILE . 24.5 p -106.32 164.91 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.59 109.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -92.19 105.22 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -70.78 -33.22 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.52 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -107.5 -23.92 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.69 27.29 20.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -108.71 154.93 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' THR . 32.8 mt -116.18 138.25 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.7 m -124.92 132.75 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -90.24 138.29 31.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt -115.21 -57.59 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.27 152.43 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -39.09 119.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -105.77 98.43 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -88.47 176.77 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.9 t -174.04 163.46 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -43.18 157.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.28 150.67 29.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -98.43 87.74 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -57.17 119.87 7.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.97 -179.09 28.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 95.96 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.242 . . . . 0.0 112.297 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 m -53.23 163.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -53.21 108.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.534 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 61.9 p 37.59 42.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -118.83 105.62 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.49 120.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -133.95 42.93 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -107.5 -56.42 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.04 40.29 0.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 84.89 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -137.13 118.68 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.43 168.49 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -92.09 -14.6 28.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 63.28 35.87 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -144.95 139.17 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG21 ' OH ' ' A' ' 48' ' ' TYR . 2.5 mt -136.39 125.57 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.98 144.08 43.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.03 164.52 37.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -81.1 118.03 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 67' ' ' ASP . 34.1 t -60.13 124.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 40' ' ' LYS . 86.4 t -111.96 -49.99 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -142.25 142.22 32.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 18' ' ' VAL . 96.7 mt -134.05 97.03 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.34 138.4 35.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mm -138.34 114.15 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.49 128.92 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -103.39 147.28 33.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 133.13 24.76 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.8 -58.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 29' ' ' GLY . 9.5 t -108.53 -41.81 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' HG23 ' A' ' 28' ' ' THR . . . 145.43 111.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -115.15 -58.95 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.23 -75.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.0 m -107.05 149.48 27.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -74.84 140.19 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.46 145.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.7 158.3 28.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 47' ' ' ILE . 6.4 tptm -119.24 148.73 42.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' A' ' 21' ' ' ILE . 3.1 tp -137.68 135.27 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 85.7 m -122.39 123.42 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.3 mp -113.7 134.1 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.506 ' HB2' HG21 ' A' ' 19' ' ' VAL . 5.5 ttpm? -89.84 99.94 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.7 OUTLIER -91.04 169.67 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' GLU . 91.1 m -38.7 113.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' THR . 2.6 mm-40 33.9 40.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.7 ttp -167.08 141.41 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 4.4 tt0 -120.22 134.69 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -126.71 153.13 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 36' ' ' LYS . 22.4 mt -113.61 140.16 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' OH ' HG21 ' A' ' 14' ' ' ILE . 91.7 m-85 -121.97 139.86 53.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.0 143.46 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.29 129.05 50.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.62 -121.17 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -108.26 -44.52 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -74.0 -37.25 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -60.65 -33.15 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.17 -40.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -53.83 -20.97 6.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 -45.79 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.882 HD21 HG21 ' A' ' 78' ' ' ILE . 4.3 mt -57.55 -28.43 63.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.7 p -79.04 -46.83 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -49.4 -53.23 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.69 0.96 55.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 50.93 40.4 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' HG21 ' A' ' 69' ' ' ILE . 74.7 t -46.38 129.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -129.98 164.25 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.49 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.8 -39.69 2.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.1 m-20 -82.86 143.37 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.81 112.58 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.554 HD13 HG23 ' A' ' 78' ' ' ILE . 2.1 pp -111.8 145.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.768 HG22 ' HB2' ' A' ' 15' ' ' GLU . 14.5 p -98.61 163.48 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mt -135.86 106.92 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t0 -83.28 107.45 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -75.11 -35.47 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.11 71.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 p -113.56 -10.39 13.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.94 41.65 99.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -120.62 158.21 27.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.882 HG21 HD21 ' A' ' 58' ' ' LEU . 84.0 mt -124.02 115.75 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -109.52 151.93 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 17.0 ttpp -109.31 139.99 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -125.02 159.2 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.57 -91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -157.37 123.65 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 m -100.11 88.56 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -100.54 -56.34 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.7 t -70.14 140.5 52.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.74 52.04 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.48 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -55.05 141.84 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 p -154.86 164.63 38.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.42 156.58 31.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.3 22.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.1 p 40.61 42.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -82.08 144.67 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.9 p -102.89 120.04 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -143.32 159.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.56 -73.37 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -51.26 136.62 24.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -57.82 140.22 52.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.09 38.5 0.74 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -129.92 159.56 36.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -114.54 169.5 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 11.9 pt-20 34.57 55.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -98.04 144.31 27.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -92.89 33.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.523 HD12 ' CG ' ' A' ' 72' ' ' ASP . 3.1 mm -137.65 128.06 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' ILE . 0.4 OUTLIER -122.72 135.09 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.3 tt0 -125.47 138.63 54.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.784 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -162.25 170.21 37.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.1 tt0 -87.6 103.63 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 21' ' ' ILE . 25.2 t -41.72 125.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 40' ' ' LYS . 78.7 t -114.93 -50.52 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.61 134.67 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 18' ' ' VAL . 62.8 mt -126.78 95.01 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 35.1 mt-30 -82.2 139.31 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.5 mm -134.94 100.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' HB2' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -71.47 128.71 36.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -87.85 143.86 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.45 40.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.26 -61.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -66.13 155.22 37.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.54 -86.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.415 ' H ' HG22 ' A' ' 30' ' ' THR . 1.5 t -71.25 69.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.39 146.84 18.16 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.9 m -114.04 145.68 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 55' ' ' ILE . 29.4 tptt -69.26 134.01 48.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG23 ' HB2' ' A' ' 24' ' ' ASP . 4.2 m -149.14 147.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.21 170.55 37.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -127.47 142.11 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD2' HD11 ' A' ' 71' ' ' ILE . 6.1 tp -125.33 132.51 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 47' ' ' ILE . 76.3 m -118.55 126.36 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.784 HD23 ' CA ' ' A' ' 16' ' ' GLY . 9.7 mp -120.56 137.55 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 19' ' ' VAL . 28.3 ttpt -89.95 101.95 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' THR . 30.9 p -94.48 169.49 10.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.5 m -34.62 108.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' THR . 6.8 mp0 37.93 46.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.539 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 1.8 ttt -167.12 165.58 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -134.0 112.65 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 47' ' ' ILE . 26.4 m -99.01 152.69 19.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 38' ' ' THR . 23.6 mm -124.12 138.22 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' HE2' HD22 ' A' ' 39' ' ' LEU . 20.3 m-85 -126.51 138.68 53.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -89.94 132.38 35.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.29 137.08 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.86 -106.37 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -119.93 -29.76 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -85.07 -46.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -49.64 -37.98 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.596 HD12 ' HG2' ' A' ' 33' ' ' LYS . 88.4 mt -68.69 -50.55 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.04 -31.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 m -78.12 -49.96 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -64.62 -11.62 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -93.52 -50.07 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.3 ptmt -53.94 -30.72 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 2.7 t70 -114.26 7.31 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm 42.3 35.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 69' ' ' ILE . 69.7 t -40.01 123.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -118.89 166.02 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.97 135.48 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.87 -35.36 3.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.35 168.15 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.7 t -113.94 104.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.546 HD13 ' CG2' ' A' ' 78' ' ' ILE . 1.7 pp -114.28 145.94 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.808 HG23 HD11 ' A' ' 81' ' ' LEU . 81.2 p -100.07 173.08 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 37' ' ' LEU . 77.9 mt -140.67 109.49 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CG ' HD12 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -88.14 103.51 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -62.52 -37.96 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.97 -52.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 77' ' ' LYS . 14.4 t -123.18 8.04 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.11 31.63 73.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 75' ' ' THR . 12.6 mttm -97.33 144.54 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.546 ' CG2' HD13 ' A' ' 69' ' ' ILE . 91.4 mt -111.13 132.86 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -124.59 142.79 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.9 ttpm? -94.7 140.74 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt -120.06 -47.12 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.85 169.05 14.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -41.8 151.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -80.76 106.49 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -94.47 149.24 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -154.14 143.34 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -102.86 97.83 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -158.21 150.38 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -139.79 118.97 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -77.18 -49.01 16.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.2 -160.8 22.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 83.81 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -95.38 97.37 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t 39.89 53.88 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -163.21 162.36 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -143.3 166.08 25.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.09 126.45 2.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -127.67 92.3 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -67.63 141.51 56.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.99 152.33 8.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -82.1 -61.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.73 142.14 49.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -106.64 134.83 49.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.2 p -78.17 120.26 22.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -122.41 26.03 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -139.39 148.65 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -147.34 125.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.4 138.15 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.572 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -157.59 165.15 33.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -80.72 104.1 11.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 21' ' ' ILE . 48.4 t -40.93 103.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.73 -52.14 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -153.17 146.21 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.509 HD11 HG11 ' A' ' 18' ' ' VAL . 55.1 mt -127.41 95.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -91.58 149.0 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.475 HD13 ' HA3' ' A' ' 35' ' ' GLY . 47.0 mm -134.15 106.8 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 34' ' ' VAL . 22.1 m-20 -80.94 123.62 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -81.98 147.7 58.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.721 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.05 40.99 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t 38.89 37.44 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.28 -101.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 30' ' ' THR . 10.1 t -124.47 120.78 33.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.32 -156.69 25.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.554 ' O ' HG13 ' A' ' 34' ' ' VAL . 49.1 m -151.17 152.23 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 110.833 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.96 138.89 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 32' ' ' SER . 24.4 m -145.0 138.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -155.36 145.9 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 27.2 mmtm -103.73 135.85 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 39' ' ' LEU . 4.9 tp -121.92 150.06 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 39' ' ' LEU . 41.2 m -131.04 129.63 42.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 38' ' ' THR . 7.4 mp -135.59 126.47 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -94.29 99.83 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 t -126.18 146.78 49.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 42' ' ' THR . 17.4 m 49.41 54.95 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 46.29 26.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 ttt -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 6.1 tt0 -98.82 132.77 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -123.44 137.96 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.443 ' CG2' ' HD2' ' A' ' 36' ' ' LYS . 61.8 mt -90.13 103.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.88 147.98 24.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.41 146.3 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 37' ' ' LEU . 25.2 mt -120.44 151.42 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.69 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -117.56 -128.78 4.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 m -99.23 -51.6 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.86 -48.98 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 mtt -53.35 -53.4 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 51' ' ' GLY . 94.6 mt -59.97 -55.72 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -41.89 -24.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ILE . 22.9 t -83.33 -47.47 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . 10.8 mt -58.85 -10.8 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -93.02 -36.97 12.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -69.07 -32.38 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 63' ' ' VAL . 1.6 p30 -94.74 -14.98 24.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.96 42.16 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 61' ' ' ASP . 98.0 t -59.33 140.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -143.51 163.21 33.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.39 136.31 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.41 -31.94 5.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.7 166.09 13.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.88 112.32 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.713 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.3 pp -114.24 149.97 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.992 HG23 HD11 ' A' ' 81' ' ' LEU . 46.3 p -98.27 173.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -144.13 106.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' OD2' ' HB3' ' A' ' 74' ' ' ALA . 1.5 t70 -92.56 107.13 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ALA . 25.4 mttm -68.11 -39.95 82.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -34.64 -54.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -112.07 -29.83 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 100.02 30.37 6.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -97.11 158.02 15.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' THR . 20.3 mt -132.79 118.54 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.8 m -108.13 153.98 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 69' ' ' ILE . 30.1 tttt -99.24 142.98 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.992 HD11 HG23 ' A' ' 70' ' ' THR . 4.1 mt -124.74 172.6 9.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' SER . . . -44.46 140.82 3.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.41 -32.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 82' ' ' GLY . 9.0 m -171.58 140.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -88.54 90.68 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -144.45 155.31 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -122.52 45.63 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.09 164.38 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -129.17 142.94 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -167.51 145.48 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.02 -100.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.31 5.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 m -116.73 -59.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.3 p -49.65 -54.52 18.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -60.15 122.33 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -153.34 106.5 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.94 148.91 18.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -106.21 105.32 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -173.96 115.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.02 89.02 1.05 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -45.5 106.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.23 128.44 36.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.18 121.8 31.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 p -84.33 -12.93 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 61.1 39.74 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mt -144.8 140.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.405 HG21 ' OH ' ' A' ' 48' ' ' TYR . 3.2 mt -142.76 119.87 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.976 ' HB2' HG22 ' A' ' 70' ' ' THR . 28.7 tt0 -107.53 152.39 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -170.84 167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -81.12 116.92 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.871 HG11 HD11 ' A' ' 21' ' ' ILE . 44.0 t -57.53 107.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 40' ' ' LYS . 73.6 t -95.2 -54.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -138.36 142.12 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.871 HD11 HG11 ' A' ' 18' ' ' VAL . 74.8 mt -131.53 95.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -82.1 134.49 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mm -131.97 128.28 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.79 125.63 37.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.09 148.95 42.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' CB ' ' HA ' ' A' ' 30' ' ' THR . 53.6 Cg_endo -69.78 91.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.56 -46.61 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 28' ' ' THR . 20.3 m -98.66 37.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.77 85.06 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.403 ' HA ' ' CB ' ' A' ' 26' ' ' PRO . 93.9 m -53.89 120.92 6.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.5 -137.25 4.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.0 t -45.57 116.81 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -85.29 147.28 26.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.72 142.91 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.77 170.79 34.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -124.46 158.16 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 71' ' ' ILE . 2.7 tp -141.49 129.35 21.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.7 m -113.76 121.59 44.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.7 mp -114.47 129.93 56.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 19' ' ' VAL . 26.7 ttmt -89.83 101.53 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' THR . 59.1 p -94.74 170.17 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 43' ' ' GLU . 89.7 m -33.56 108.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . 11.6 mt-10 33.42 46.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' THR . 2.3 ttt -167.72 133.94 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -114.53 149.91 35.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -148.72 145.68 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.24 121.38 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' OH ' HG21 ' A' ' 14' ' ' ILE . 61.9 m-85 -99.1 143.17 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.01 133.28 34.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.79 141.44 46.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.15 -122.16 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.3 m -114.7 -20.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -41.47 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.45 -32.03 69.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.98 -39.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.34 -26.45 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.9 t -79.15 -56.68 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 78' ' ' ILE . 5.5 mt -51.65 -17.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 -39.98 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -67.6 -20.4 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.725 ' CG ' HG23 ' A' ' 63' ' ' VAL . 5.7 p30 -107.6 -13.42 15.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.7 33.13 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.725 HG23 ' CG ' ' A' ' 61' ' ' ASP . 91.1 t -51.84 141.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -138.08 161.26 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.2 138.34 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.48 23.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.8 t70 -90.22 166.41 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' ' 84' ' ' SER . 70.2 t -109.88 104.81 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -113.57 144.16 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.991 HG23 HD11 ' A' ' 81' ' ' LEU . 40.9 p -94.99 173.06 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 37' ' ' LEU . 72.0 mt -143.79 107.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -90.29 106.71 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.96 -38.93 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.47 -60.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -104.1 -19.7 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 85.0 31.78 22.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -103.55 158.09 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 58' ' ' LEU . 28.4 mt -124.77 138.62 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -128.48 153.76 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.465 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.6 ttpt -101.12 140.13 35.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.991 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt -122.97 145.97 48.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.7 172.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -58.32 126.75 28.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.506 ' HB3' HG21 ' A' ' 68' ' ' VAL . 34.5 t -132.83 85.17 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -48.91 145.56 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -78.82 172.82 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -86.67 105.44 16.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.7 99.06 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -116.73 174.65 5.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.4 p -99.36 136.5 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.5 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -30.45 22.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m -105.5 140.77 38.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -60.74 -47.32 86.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.502 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -151.7 161.19 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -96.83 177.41 5.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.72 -158.71 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -111.83 113.52 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -148.54 106.33 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.92 -160.91 34.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -54.82 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -109.91 74.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -154.58 113.85 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 p -125.19 121.84 35.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.82 36.04 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.1 mt -144.96 142.39 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.92 119.91 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.785 ' HB2' HG22 ' A' ' 70' ' ' THR . 8.5 tt0 -109.55 125.2 52.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.3 169.23 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 34.6 tt0 -86.98 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.932 0.396 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' ASP . 45.0 t -36.92 102.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.2 -55.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -148.61 141.35 24.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 18' ' ' VAL . 79.7 mt -123.71 95.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.21 149.15 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mm -121.61 110.35 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.77 101.35 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -53.59 147.43 21.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.4 -40.41 23.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 t -143.55 146.2 33.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.51 164.31 12.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.5 m -123.08 107.1 11.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.15 65.83 1.76 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 53.8 p -161.25 165.3 29.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.863 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 32' ' ' SER . 53.1 mttt -163.62 141.75 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.2 148.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.05 162.91 29.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -112.13 142.39 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -131.89 137.11 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -119.27 125.94 50.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.8 mp -128.39 138.99 52.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 30.3 ttpt -89.47 103.46 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 44' ' ' MET . 16.9 p -127.8 144.71 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 42' ' ' THR . 25.4 m 47.09 48.94 15.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 53.75 25.12 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' THR . 7.8 ptt? -147.8 133.58 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' HG3' ' A' ' 40' ' ' LYS . 5.9 mp0 -92.75 128.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.5 m -122.16 134.38 54.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mt -82.99 143.12 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.68 148.18 48.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.92 108.21 19.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 37' ' ' LEU . 35.9 mt -88.2 120.72 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 179.4 34.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.2 m -52.93 -49.95 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -62.26 -44.05 97.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.0 mtt -54.78 -49.35 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 77.9 mt -57.86 -51.61 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -42.01 -25.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.9 m -86.08 -40.06 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.7 mt -61.52 -11.34 10.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.8 p -89.94 -53.41 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -47.95 -46.72 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.0 m-20 -102.33 13.36 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 61' ' ' ASP . 9.3 mtpm? 32.33 51.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.644 ' CG1' HG21 ' A' ' 69' ' ' ILE . 73.2 t -52.13 123.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -132.03 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 142.86 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.52 -31.21 8.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.7 m-20 -93.85 159.98 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.9 t -105.28 112.99 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CG1' ' A' ' 63' ' ' VAL . 2.7 pp -115.08 144.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.785 HG22 ' HB2' ' A' ' 15' ' ' GLU . 77.9 p -99.7 164.38 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.69 106.93 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 74' ' ' ALA . 3.0 t70 -88.23 107.98 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -72.5 -32.19 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -51.41 -48.41 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.94 -32.1 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.8 29.27 10.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -116.46 158.09 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.298 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 70' ' ' THR . 30.2 mt -117.04 126.5 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 150.18 28.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.433 ' C ' HD23 ' A' ' 81' ' ' LEU . 44.7 tttm -106.8 140.05 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 70' ' ' THR . 5.3 mt -121.6 178.3 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.33 -92.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -134.93 121.83 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 m -104.62 119.4 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -84.3 143.85 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.9 m -77.97 137.12 38.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -94.6 136.68 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.44 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.76 156.43 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.8 p -135.36 124.04 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.54 160.22 19.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.06 18.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.0 p -124.75 132.55 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -130.75 131.17 44.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -119.8 135.05 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p -75.72 -49.87 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.7 131.9 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -103.8 144.38 31.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -55.69 117.15 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.71 46.88 1.03 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -113.62 34.18 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.314 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 11' ' ' THR . 42.8 mt-10 -138.8 126.24 21.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -44.56 110.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 9' ' ' GLU . 17.9 p -130.62 174.98 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 61.78 30.57 18.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.7 145.96 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 48' ' ' TYR . 2.4 mt -142.15 128.13 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.799 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -168.47 159.63 32.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -80.62 106.43 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 21' ' ' ILE . 3.3 t -43.03 124.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 95.2 t -109.58 -48.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -149.09 141.26 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.691 HD11 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -133.78 119.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.0 tt0 -123.06 146.43 47.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.7 mp -139.82 137.89 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.03 106.27 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -48.89 152.15 1.92 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.54 0.92 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.44 41.04 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -118.86 -21.81 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.44 41.9 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m 56.56 44.29 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.89 134.87 7.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -52.36 179.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -65.34 137.58 57.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.15 131.24 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.88 23.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -114.69 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.1 tp -118.17 134.26 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -120.67 124.21 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.38 139.57 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 40.6 tttt -90.52 106.33 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' THR . 24.2 p -100.37 169.66 8.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 43' ' ' GLU . 27.7 m -34.32 111.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 42' ' ' THR . 21.0 mt-10 33.04 46.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 20.4 ttp -167.16 153.78 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -126.57 118.32 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 m -106.59 148.99 27.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.76 113.85 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HE2' HD12 ' A' ' 14' ' ' ILE . 21.8 m-85 -93.58 151.03 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -100.69 120.56 40.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD21 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -101.72 138.49 38.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.23 -103.38 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -119.08 -62.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -49.88 -44.35 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.483 ' SD ' HD11 ' A' ' 78' ' ' ILE . 26.2 mtt -53.21 -50.77 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.42 -43.64 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.85 -26.91 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -86.47 -45.13 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -22.73 51.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.2 p -83.96 -49.65 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -48.98 -36.95 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.24 -9.65 17.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 61.6 34.08 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.0 t -40.82 129.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -131.1 173.24 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.42 132.01 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.98 -29.57 5.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.6 m-20 -88.07 171.95 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.86 113.7 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.677 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.6 pp -118.52 149.01 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.866 HG23 HD11 ' A' ' 81' ' ' LEU . 15.4 p -98.43 161.79 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 48' ' ' TYR . 68.6 mt -131.04 112.08 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.54 106.19 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -71.5 -36.71 71.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.6 -40.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -122.95 -38.04 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.15 4.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -105.55 151.28 24.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 70' ' ' THR . 19.6 mt -119.46 122.47 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -107.23 154.01 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.589 ' HG3' HG22 ' A' ' 69' ' ' ILE . 13.1 tttm -105.07 136.58 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.866 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt -114.13 158.69 20.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.39 150.43 49.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -38.45 144.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -42.84 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -40.96 156.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' THR . 12.6 t -144.51 128.5 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -144.12 129.98 19.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.18 158.04 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -111.39 -61.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.6 m -112.72 110.13 20.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.16 82.76 0.37 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -176.69 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -125.24 166.07 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 m -58.79 102.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 40.74 42.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -101.5 160.72 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.17 153.19 10.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -170.43 146.78 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -50.81 177.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.41 38.98 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -126.98 127.81 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -106.91 79.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.87 132.42 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 p -125.68 148.54 48.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.2 37.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.2 mm -134.5 146.03 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 73' ' ' LYS . 1.9 mt -147.99 129.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' HG22 ' A' ' 70' ' ' THR . 30.5 tt0 -115.86 129.93 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' HA3' HD23 ' A' ' 39' ' ' LEU . . . -149.69 159.84 28.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -80.69 104.44 11.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 21' ' ' ILE . 48.7 t -42.79 127.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 92.8 t -111.07 -49.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.68 137.38 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 56.5 mt -126.27 95.34 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -86.54 147.17 26.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.5 121.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.6 t70 -94.32 116.62 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -75.26 153.58 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.26 176.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -56.39 104.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.44 152.83 8.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.5 m -49.67 128.92 18.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -152.92 -151.92 5.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -136.41 174.75 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -98.84 136.44 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 22.6 m -147.57 150.35 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.0 167.88 35.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -126.82 119.48 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -106.61 139.49 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -127.05 119.92 27.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -109.86 144.38 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 34.2 ttpt -89.76 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.8 OUTLIER -89.27 169.82 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' GLU . 26.6 m -39.79 111.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 4.5 mm-40 36.2 39.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' THR . 4.3 ttp -167.15 149.64 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -106.83 138.02 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 m -123.62 136.09 54.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -110.78 132.2 59.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.62 135.31 54.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -75.26 121.39 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 37' ' ' LEU . 44.5 mt -96.25 125.51 40.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.36 -127.7 5.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 m -100.64 -68.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.85 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.85 -46.15 58.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.4 -43.56 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -49.01 -34.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -72.37 -40.57 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.18 -17.43 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.9 p -92.06 -45.0 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.45 6.07 47.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp 40.61 52.5 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.704 HG11 HG21 ' A' ' 69' ' ' ILE . 87.2 t -62.77 130.81 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.8 171.52 13.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.25 146.76 54.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.01 -28.63 14.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.36 164.33 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.9 t -107.37 113.98 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.704 HG21 HG11 ' A' ' 63' ' ' VAL . 2.6 pp -113.92 141.57 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 HD11 ' A' ' 81' ' ' LEU . 19.2 p -96.8 161.52 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.7 mt -132.07 124.87 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -107.34 100.45 9.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HE3' HD11 ' A' ' 14' ' ' ILE . 37.4 mttt -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.4 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -122.68 -11.59 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.82 16.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.65 156.64 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' THR . 23.0 mt -121.44 143.16 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -129.14 153.36 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.45 141.48 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 70' ' ' THR . 1.9 mt -124.03 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.06 152.77 7.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -40.15 142.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -172.48 147.95 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -67.85 143.17 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -73.56 147.15 44.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -76.04 86.63 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.52 158.68 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -125.01 141.22 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.2 p -99.84 40.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.03 -106.6 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 110.47 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -100.98 163.2 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 p -127.05 -44.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 144.6 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -118.92 116.65 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.37 51.47 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -67.38 78.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.831 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -126.67 108.03 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -99.23 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -146.27 107.72 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.739 0.304 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.36 108.63 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 5.5 pt-20 -102.95 110.74 22.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.49 149.55 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.37 37.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' ' OD2' ' A' ' 72' ' ' ASP . 4.6 mm -137.39 146.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -149.39 114.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 70' ' ' THR . 12.6 tt0 -102.92 124.73 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.76 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -137.77 166.25 25.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 29.9 tt0 -93.1 106.87 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.928 HG11 HD11 ' A' ' 21' ' ' ILE . 4.0 t -43.11 110.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' GLU . 92.4 t -101.6 -52.15 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -141.79 138.34 32.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.928 HD11 HG11 ' A' ' 18' ' ' VAL . 50.2 mt -130.25 110.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -117.75 134.38 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -116.5 125.11 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -84.13 107.08 16.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -66.53 145.7 98.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 -53.02 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 29' ' ' GLY . 5.2 t -60.37 -46.81 88.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' HG23 ' A' ' 28' ' ' THR . . . -150.11 143.58 10.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -86.03 151.43 23.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.97 -147.43 17.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -45.49 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -118.74 150.77 39.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -143.0 154.23 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -161.0 162.07 33.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 47' ' ' ILE . 18.8 ttpt -116.47 130.14 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.635 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.1 tp -124.09 145.3 49.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 89.1 m -128.23 126.38 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.76 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.1 mp -130.19 136.13 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 14.2 ttpp -89.8 114.24 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 43' ' ' GLU . 18.3 p -85.09 169.97 13.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.7 m -45.67 -18.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 41' ' ' THR . 18.0 mt-10 -114.16 -77.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -178.64 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 40.8 mt-10 -92.65 159.52 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.7 m -150.2 134.17 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 36' ' ' LYS . 7.7 mt -82.77 126.61 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -104.49 117.59 34.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.16 116.98 4.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.1 mt -98.01 162.61 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.3 -111.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 m -120.09 -36.6 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -76.57 -41.4 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.15 -43.47 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.27 -42.77 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -46.2 -27.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.9 m -83.14 -49.54 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.8 -12.08 9.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.3 p -93.79 -51.6 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -52.71 -27.87 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LYS . 5.8 m-20 -120.96 11.11 10.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ASP . 30.4 mmtm 35.11 45.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.45 134.64 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -130.25 177.29 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.78 141.76 56.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.52 -30.55 8.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.6 m-20 -87.55 171.12 10.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.11 115.63 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -120.37 147.66 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 1.084 HG23 HD11 ' A' ' 81' ' ' LEU . 58.8 p -95.91 171.69 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.76 108.57 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -89.77 99.89 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.35 -37.36 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.5 -56.89 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 77' ' ' LYS . 8.8 t -121.64 14.58 10.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.6 25.38 55.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 75' ' ' THR . 7.9 mmtp -85.51 155.46 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 70' ' ' THR . 45.3 mt -129.2 134.63 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -123.97 152.32 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HG3' HG22 ' A' ' 69' ' ' ILE . 3.5 ttpm? -100.43 135.84 41.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.084 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -118.57 166.13 13.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.28 -66.95 2.24 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.428 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -151.32 -179.06 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -60.7 108.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.12 -47.74 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 87' ' ' ARG . 26.8 m -48.51 157.38 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 86' ' ' THR . 9.1 tpp180 -93.49 117.39 30.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 -57.28 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 49.94 42.32 24.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 m -114.11 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.22 69.64 0.12 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 161.12 47.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.0 p -153.06 124.69 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.3 p -117.89 176.89 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mm -139.66 138.69 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.534 HD11 ' HD2' ' A' ' 73' ' ' LYS . 1.9 mt -136.26 127.26 42.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.79 ' HB2' HG22 ' A' ' 70' ' ' THR . 36.2 tt0 -120.5 127.02 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.765 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -146.23 177.59 24.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.76 105.68 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.774 HG11 HD11 ' A' ' 21' ' ' ILE . 11.7 t -41.44 98.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.68 -56.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.35 150.07 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.774 HD11 HG11 ' A' ' 18' ' ' VAL . 20.2 mt -132.91 98.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.41 138.1 31.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.07 139.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.03 171.72 26.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -128.93 122.49 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 50' ' ' LEU . 8.7 tp -113.1 140.77 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 39' ' ' LEU . 77.4 m -122.31 130.6 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.0 mp -132.57 137.68 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.82 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -99.53 140.06 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -130.53 134.69 47.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.36 142.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' A' ' 14' ' ' ILE . 55.0 m-85 -127.05 132.74 50.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.97 121.81 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 37' ' ' LEU . 1.8 mt -99.75 127.85 45.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.72 -126.02 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -110.82 -19.74 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -94.25 -28.27 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.3 mtt -69.96 -33.65 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.21 -49.28 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -46.1 -33.64 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.4 m -71.46 -40.01 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -71.72 -18.2 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.8 p -89.04 -53.31 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -48.83 -34.36 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.24 5.89 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 69' ' ' ILE . 81.6 t -55.38 126.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -123.92 174.91 7.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.76 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.38 -31.29 7.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.9 m-20 -84.46 172.08 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 81' ' ' LEU . 24.6 t -116.68 120.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -127.03 156.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 1.076 HG23 HD11 ' A' ' 81' ' ' LEU . 40.6 p -107.07 169.42 8.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 37' ' ' LEU . 46.8 mt -140.79 116.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.3 t0 -94.58 105.34 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.534 ' HD2' HD11 ' A' ' 14' ' ' ILE . 12.6 mtpt -74.6 -21.2 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.1 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -105.89 -18.32 14.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 81.76 26.92 48.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -109.88 155.47 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.691 0.282 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 70' ' ' THR . 34.9 mt -119.51 141.8 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 m -128.33 152.95 47.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -101.82 138.56 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.794 ' OE2' ' HB2' ' A' ' 74' ' ' ALA . 10.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.789 0.328 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.02 144.64 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.68 132.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HB2' HG22 ' A' ' 70' ' ' THR . 47.4 tt0 -119.74 120.65 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.648 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.78 168.1 26.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.31 106.87 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 21' ' ' ILE . 6.6 t -41.4 114.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.1 t -100.55 -52.72 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -143.45 139.56 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.744 HD11 HG11 ' A' ' 18' ' ' VAL . 82.8 mt -126.21 97.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.7 mm100 -100.35 148.3 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.1 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . 11.2 mtpt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.22 155.65 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -153.85 160.65 29.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -125.39 130.2 51.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 39' ' ' LEU . 6.0 tp -127.13 140.65 52.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' LEU . 62.8 m -120.98 128.61 52.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.5 mp -127.88 137.52 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.777 0.322 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.77 138.83 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -130.49 147.65 52.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.39 146.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 21.2 m-85 -122.27 135.5 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.28 112.83 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 35' ' ' GLY . 24.8 mt -96.56 150.77 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . -112.76 -108.94 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -121.66 -50.05 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -65.83 -34.71 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -61.69 -38.67 88.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 59' ' ' THR . 91.5 mt -70.23 -45.35 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -48.49 -31.49 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -74.22 -47.92 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 HD13 ' A' ' 78' ' ' ILE . 6.3 mt -57.62 -15.88 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 55' ' ' ILE . 18.1 p -91.42 -56.11 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -45.49 -31.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -113.39 -4.66 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm 52.93 49.5 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 69' ' ' ILE . 40.7 t -61.17 131.05 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 mm-40 -131.43 -179.09 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.22 151.45 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -27.68 18.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.0 m-20 -90.63 171.97 9.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 81' ' ' LEU . 20.2 t -115.19 122.65 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.905 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -130.37 147.52 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.954 HG23 HD11 ' A' ' 81' ' ' LEU . 21.5 p -101.64 165.19 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 54.7 mt -134.31 107.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -89.2 101.2 13.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -64.33 -41.73 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.794 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . . . -48.07 -49.4 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -100.08 -9.53 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.5 36.0 92.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -121.93 156.09 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.478 HD13 HD21 ' A' ' 58' ' ' LEU . 25.2 mt -111.4 129.38 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -115.24 152.8 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.8 ttpm? -106.38 139.28 41.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.954 HD11 HG23 ' A' ' 70' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 72' ' ' ASP . 3.6 mm -136.13 141.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -144.3 123.31 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.804 ' HB2' HG22 ' A' ' 70' ' ' THR . 10.3 tt0 -112.84 135.99 52.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.554 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -153.33 169.3 32.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 68' ' ' VAL . 35.6 tt0 -84.55 113.26 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 65' ' ' ALA . 60.3 t -48.3 114.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.8 t -99.93 -44.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -157.24 150.2 23.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.0 mt -140.35 118.93 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.749 ' C ' HD12 ' A' ' 23' ' ' ILE . 36.3 mt-30 -125.91 152.13 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.3 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.0 m -132.31 121.07 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.27 169.18 14.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' CE ' HG21 ' A' ' 47' ' ' ILE . 2.4 mtpm? -127.51 125.79 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.9 tp -119.74 144.64 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.5 ' H ' HD12 ' A' ' 37' ' ' LEU . 86.5 m -129.58 112.21 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.89 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -111.92 144.68 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ptt? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -115.46 127.76 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -111.79 138.68 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.557 HG21 ' CE ' ' A' ' 36' ' ' LYS . 4.7 mp -95.05 116.3 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -106.78 127.58 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -79.17 128.0 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.2 mt -102.08 149.33 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -103.42 -121.96 5.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -105.73 -44.69 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.83 -50.08 46.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 mtt -42.94 -49.83 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 51' ' ' GLY . 61.8 mt -60.99 -51.95 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -40.45 -31.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -80.49 -44.24 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 78' ' ' ILE . 5.4 mt -68.73 -18.76 64.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.4 p -86.37 -44.57 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.2 -37.28 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.5 5.23 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 40.26 54.28 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.67 130.75 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.36 164.01 23.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -55.54 149.56 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.34 -36.77 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.66 172.02 13.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 17' ' ' GLU . 94.6 t -123.2 111.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 78' ' ' ILE . 6.1 pt -111.08 171.63 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.956 HG23 HD11 ' A' ' 81' ' ' LEU . 17.9 p -122.55 172.75 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.8 mt -141.09 115.3 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' HA ' HD13 ' A' ' 13' ' ' ILE . 8.4 t0 -100.46 105.49 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ALA . 39.6 mttp -67.88 -37.75 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.21 -54.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -111.98 -25.97 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.14 27.87 10.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -106.12 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 70' ' ' THR . 20.8 mt -120.16 136.23 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t -117.53 153.42 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.96 141.08 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 70' ' ' THR . 1.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 13' ' ' ILE . 26.5 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 12' ' ' GLU . 3.2 mm -141.51 128.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.0 116.18 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.686 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.1 OUTLIER -106.57 140.13 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 165.98 33.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.02 107.02 13.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 65' ' ' ALA . 48.9 t -43.04 106.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 45' ' ' GLU . 60.0 t -86.92 -52.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 4.6 tp10 -153.88 148.65 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 78.5 mt -133.14 129.36 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.703 ' C ' HD12 ' A' ' 23' ' ' ILE . 9.3 mt-30 -136.77 151.32 49.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.703 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.5 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' A' ' 52' ' ' THR . 39.2 mtmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' VAL . 5.0 m -132.54 116.1 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.69 156.55 15.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -116.8 117.94 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 50' ' ' LEU . 6.3 tp -113.79 146.67 39.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -131.28 115.72 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 37' ' ' LEU . 7.5 mp -115.65 138.82 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 36.9 ttmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 ptt? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.696 0.284 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' HG21 ' A' ' 19' ' ' VAL . 26.7 mt-10 -103.17 140.27 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -128.03 135.16 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.03 127.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.17 121.76 44.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -62.33 114.15 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 37' ' ' LEU . 79.7 mt -90.15 122.0 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.13 171.21 38.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' HE3' ' A' ' 33' ' ' LYS . 61.6 m -53.4 -35.4 60.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -45.67 52.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 mtt -53.95 -47.89 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mt -57.25 -50.91 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -46.61 -23.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 m -89.11 -38.45 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 78' ' ' ILE . 5.0 mt -70.83 -15.54 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 p -89.13 -38.19 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -66.07 -37.06 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -2.64 52.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 mttt 53.97 33.64 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.0 138.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -141.78 165.12 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -61.72 145.85 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.65 29.83 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.73 170.96 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.3 112.16 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -116.84 154.54 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.915 HG23 HD11 ' A' ' 81' ' ' LEU . 41.4 p -104.17 166.17 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.3 mt -136.07 112.67 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.17 105.62 17.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -70.06 -27.22 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.48 16.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.474 HG23 ' HG2' ' A' ' 77' ' ' LYS . 15.1 t -110.97 -16.51 13.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.74 29.08 30.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG2' HG23 ' A' ' 75' ' ' THR . 20.4 mmtp -101.49 158.26 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 70' ' ' THR . 22.1 mt -127.43 126.62 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -112.75 153.46 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HG3' HG22 ' A' ' 69' ' ' ILE . 16.0 tttm -102.75 139.96 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.915 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -145.04 140.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -132.63 114.19 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.649 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -104.07 141.88 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.91 174.79 41.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -90.05 119.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 69' ' ' ILE . 3.8 t -52.74 108.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 45' ' ' GLU . 78.4 t -92.33 -53.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -149.95 141.83 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 18' ' ' VAL . 46.9 mt -125.54 100.25 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -89.04 155.84 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HB3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 ' C ' HD11 ' A' ' 55' ' ' ILE . 11.5 m -155.35 162.55 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' HD11 ' A' ' 55' ' ' ILE . . . -157.27 151.85 23.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 47' ' ' ILE . 45.5 tttt -112.62 118.1 34.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 50' ' ' LEU . 10.3 tp -110.41 138.08 47.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 125.28 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.9 mp -116.1 152.07 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' A' ' 19' ' ' VAL . 3.8 tt0 -123.76 117.07 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 m -105.49 150.64 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.614 HG21 ' HE2' ' A' ' 36' ' ' LYS . 16.2 mt -116.42 116.99 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.749 ' HE2' HD22 ' A' ' 39' ' ' LEU . 15.2 m-85 -97.05 142.32 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.48 128.39 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 37' ' ' LEU . 13.7 mt -99.1 119.01 37.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.33 168.75 35.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.859 HG23 ' HB3' ' A' ' 33' ' ' LYS . 1.7 m -52.37 -19.25 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.365 . . . . 0.0 111.136 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -93.71 -35.62 12.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.682 ' HE2' HG23 ' A' ' 71' ' ' ILE . 20.1 mtt -63.95 -44.88 91.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.672 HD11 ' C ' ' A' ' 34' ' ' VAL . 66.7 mt -62.42 -47.46 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.26 -21.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -91.64 -36.29 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 58' ' ' LEU . 5.7 mt -68.27 -11.56 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.3 p -90.25 -43.42 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 18.3 pttp -63.71 -35.08 79.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 63.3 m-20 -102.27 6.22 40.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt 38.03 47.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 69' ' ' ILE . 87.6 t -55.37 125.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -121.47 169.9 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 163.38 11.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.21 -25.77 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.8 m-20 -84.36 171.82 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 81' ' ' LEU . 45.4 t -115.96 118.78 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.799 HG22 ' HG2' ' A' ' 80' ' ' LYS . 6.4 pt -123.84 159.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 1.042 HG23 HD11 ' A' ' 81' ' ' LEU . 18.7 p -115.82 160.38 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.682 HG23 ' HE2' ' A' ' 54' ' ' MET . 20.4 mt -135.41 110.83 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.2 t70 -92.08 105.35 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -65.77 -28.57 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -66.6 -58.58 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -87.98 -11.76 46.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.72 31.46 80.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -118.19 157.31 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 70' ' ' THR . 33.1 mt -120.57 139.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 m -132.08 151.95 51.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.799 ' HG2' HG22 ' A' ' 69' ' ' ILE . 20.3 mtpt -98.11 143.06 29.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.042 HD11 HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' CD ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 pt-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mt -144.01 138.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mt -136.81 120.59 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.695 ' HB2' HG22 ' A' ' 70' ' ' THR . 29.4 tt0 -108.37 140.59 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.674 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -159.38 173.43 36.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' HG22 ' A' ' 68' ' ' VAL . 36.9 tt0 -89.59 109.03 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.4 t -50.64 113.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.36 -53.07 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -142.94 143.61 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.556 HD11 HG11 ' A' ' 18' ' ' VAL . 88.2 mt -131.87 96.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -84.27 142.96 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HD2' HG23 ' A' ' 52' ' ' THR . 55.6 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 m -140.1 146.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.38 154.92 26.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.606 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 tttm -129.59 119.07 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.358 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 39' ' ' LEU . 4.8 tp -113.9 143.65 44.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.0 m -130.89 118.82 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.507 HD22 ' HE2' ' A' ' 48' ' ' TYR . 7.6 mp -111.67 138.12 48.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.834 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.773 0.321 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -112.45 115.72 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -107.55 135.24 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.606 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 13.4 mt -103.3 109.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.507 ' HE2' HD22 ' A' ' 39' ' ' LEU . 25.7 m-85 -92.25 139.85 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.5 p-10 -85.09 158.07 20.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 49' ' ' ASP . 23.3 mt -131.1 161.34 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -123.81 -125.85 3.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HD2' ' A' ' 33' ' ' LYS . 29.0 m -101.95 -41.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -77.03 -46.91 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.4 mtt -51.37 -35.35 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 81.5 mt -69.46 -49.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.44 -27.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -76.52 -40.57 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 78' ' ' ILE . 6.5 mt -74.45 -14.1 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.1 p -93.89 -40.57 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -30.63 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 5.4 m-20 -105.0 3.71 30.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt 43.27 49.3 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG22 ' HZ2' ' A' ' 80' ' ' LYS . 79.2 t -62.97 131.83 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -130.27 170.16 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 148.11 43.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.62 -35.05 5.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -88.87 130.47 35.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' GLY . 95.1 t -80.46 113.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.6 pp -112.33 149.56 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.863 HG23 HD11 ' A' ' 81' ' ' LEU . 41.3 p -99.62 169.56 9.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.2 mt -142.14 109.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.6 t0 -90.58 106.0 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -67.16 -31.86 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 12' ' ' GLU . . . -58.89 -54.11 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -93.92 -14.28 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.3 32.26 81.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.66 153.02 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 69' ' ' ILE . 30.4 mt -113.63 127.91 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 m -121.31 134.12 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -90.15 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.863 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.779 0.323 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.2 mt -144.94 144.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -144.15 128.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.741 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.55 138.46 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.651 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -155.63 162.13 30.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.03 106.63 14.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 21' ' ' ILE . 97.1 t -46.59 108.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 t -93.47 -53.09 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.64 147.81 38.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 18' ' ' VAL . 88.7 mt -134.04 105.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -103.86 140.77 37.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 mm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -138.06 154.04 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.89 168.34 36.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -129.94 144.83 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 39' ' ' LEU . 10.5 tp -138.59 141.58 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.626 ' O ' HD12 ' A' ' 39' ' ' LEU . 68.8 m -122.7 130.81 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.807 ' CD1' HD11 ' A' ' 37' ' ' LEU . 9.1 mp -131.65 128.36 38.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.695 0.283 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -98.61 163.28 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.7 m -150.31 138.52 20.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.3 mt -82.87 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -120.62 116.81 26.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -62.18 114.57 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 37' ' ' LEU . 52.0 mt -97.69 149.27 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.19 -118.0 3.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -109.94 -54.44 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -60.89 -39.38 89.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.7 mmt -54.47 -50.02 68.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.31 -44.46 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -44.52 -26.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -87.86 -41.43 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 78' ' ' ILE . 6.8 mt -66.09 -14.63 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 p -92.05 -44.87 8.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -43.94 94.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.1 m-20 -91.95 9.59 32.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 36.59 51.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 69' ' ' ILE . 60.4 t -62.24 143.85 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 21' ' ' ILE . 42.2 mt-30 -150.14 -179.49 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 138.86 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.36 -31.19 6.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.3 m-20 -98.04 130.99 44.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.866 0.365 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.0 t -79.96 113.48 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.548 HG22 ' HG3' ' A' ' 80' ' ' LYS . 2.7 pp -111.0 161.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.787 HG23 HD11 ' A' ' 81' ' ' LEU . 15.5 p -112.67 169.42 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.27 107.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.7 t0 -97.1 107.93 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -65.02 -39.84 94.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.12 -59.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -105.75 -19.2 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 82.86 28.99 36.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -100.01 153.35 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 58' ' ' LEU . 36.6 mt -122.89 117.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -106.64 153.23 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HG3' HG22 ' A' ' 69' ' ' ILE . 25.1 ttmt -103.1 138.68 39.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.787 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.91 130.13 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.59 113.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.95 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -114.7 166.21 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.675 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -175.35 168.14 40.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -82.54 104.66 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.748 HG11 HD11 ' A' ' 21' ' ' ILE . 5.0 t -49.87 129.32 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.34 -47.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.29 138.17 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.748 HD11 HG11 ' A' ' 18' ' ' VAL . 90.1 mt -130.63 110.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -103.9 147.08 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.792 0.329 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.5 138.37 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.05 146.04 17.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 tmmm? -111.38 120.91 43.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 HG12 ' A' ' 21' ' ' ILE . 3.1 tp -115.38 130.58 56.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.429 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 89.5 m -119.33 122.86 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.675 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.2 mp -113.47 147.37 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.868 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.522 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -138.62 133.59 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -129.88 146.72 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.4 mp -111.6 110.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HB2' HD23 ' A' ' 37' ' ' LEU . 83.5 m-85 -91.67 117.04 29.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -66.3 131.72 46.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.2 126.3 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.54 -124.0 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.8 m -114.01 -34.99 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -80.72 -43.36 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.4 mtt -53.62 -37.96 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . 61.3 mt -67.1 -52.71 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -39.73 -27.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m -85.69 -45.76 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 78' ' ' ILE . 6.6 mt -58.12 -11.75 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -93.45 -44.08 8.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -64.54 -23.37 67.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.702 ' CG ' HG23 ' A' ' 63' ' ' VAL . 12.5 p30 -106.28 0.37 25.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 46.6 42.72 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.702 HG23 ' CG ' ' A' ' 61' ' ' ASP . 92.8 t -55.9 146.18 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.05 175.87 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.79 140.3 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.92 -28.23 10.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.65 172.06 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.4 t -119.19 113.44 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.669 HG22 ' HG2' ' A' ' 80' ' ' LYS . 2.5 pp -112.71 154.59 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.95 HG22 ' HB3' ' A' ' 15' ' ' GLU . 28.2 p -107.34 166.31 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -135.98 112.11 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 t0 -96.4 105.95 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -68.11 -36.59 80.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.74 -53.9 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -107.84 -37.46 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 102.14 33.17 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -107.72 153.1 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 58' ' ' LEU . 19.6 mt -120.5 128.18 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.2 m -119.87 153.08 36.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HG2' HG22 ' A' ' 69' ' ' ILE . 7.2 mtpm? -98.53 143.12 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.897 HD11 HG23 ' A' ' 70' ' ' THR . 2.9 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 13' ' ' ILE . 6.1 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 72' ' ' ASP . 5.7 mm -144.77 133.67 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.466 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 1.7 mm -118.23 154.11 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -149.61 118.51 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.576 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -153.78 162.55 30.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 42.6 tt0 -83.14 103.98 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.688 HG11 HD11 ' A' ' 21' ' ' ILE . 19.9 t -36.91 106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -90.46 -52.62 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -146.98 147.31 30.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.688 HD11 HG11 ' A' ' 18' ' ' VAL . 77.2 mt -133.06 97.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -98.78 155.62 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 19.1 tptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.819 0.343 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.9 m -139.34 148.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 50' ' ' LEU . . . -143.02 166.86 26.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 32.5 tttp -124.0 118.19 26.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.4 tp -116.03 145.15 43.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -126.81 124.93 40.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.621 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.1 mp -128.26 138.21 52.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 28.5 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.1 ptt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.733 0.302 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 28.3 mt-10 -96.48 132.64 41.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.8 m -125.84 138.71 53.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 47' ' ' ILE . 4.0 mp -87.37 133.99 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.466 ' CZ ' HG21 ' A' ' 14' ' ' ILE . 95.9 m-85 -116.88 122.81 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -60.16 118.98 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 37' ' ' LEU . 70.3 mt -88.49 121.98 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.15 159.76 26.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -44.79 -30.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.86 -51.46 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.2 mtt -46.76 -50.79 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 59' ' ' THR . 92.6 mt -52.46 -53.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -41.92 -28.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t -80.99 -52.33 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -60.67 -11.16 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 55' ' ' ILE . 58.4 p -91.55 -47.9 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -55.14 -40.05 70.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.71 9.17 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 38.02 39.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 80' ' ' LYS . 77.1 t -38.4 127.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -120.84 161.63 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.49 155.76 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.48 -28.29 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -84.1 165.71 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -114.82 112.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.5 pp -115.21 149.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.7 p -102.86 166.67 10.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.34 108.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.3 t0 -91.62 105.16 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -68.18 -38.53 82.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.14 -57.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 t -108.0 -14.27 14.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 79.65 30.87 42.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -101.98 155.62 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 41.7 mt -121.83 123.23 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.7 m -110.75 153.14 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD2' HG22 ' A' ' 63' ' ' VAL . 13.3 tttm -107.38 138.7 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.1 mt -143.99 140.87 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -137.5 120.5 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.828 ' HB2' HG22 ' A' ' 70' ' ' THR . 26.2 tt0 -113.37 123.29 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -145.08 165.98 27.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.62 108.61 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 21' ' ' ILE . 11.9 t -42.3 107.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.539 HG11 ' OE1' ' A' ' 45' ' ' GLU . 60.1 t -90.46 -46.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -152.94 152.32 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 18' ' ' VAL . 52.5 mt -140.6 109.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -114.33 153.98 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.489 HD13 ' HA3' ' A' ' 35' ' ' GLY . 31.8 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.65 147.92 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -137.79 150.9 21.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -105.37 121.73 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.958 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.5 tp -113.92 145.89 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' HD12 ' A' ' 39' ' ' LEU . 87.4 m -130.31 122.91 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 16' ' ' GLY . 8.6 mp -122.3 139.16 54.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.702 0.286 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.539 ' OE1' HG11 ' A' ' 19' ' ' VAL . 14.9 mt-10 -92.34 132.9 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.2 m -127.41 138.7 53.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.86 144.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 118.37 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.67 117.98 7.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 37' ' ' LEU . 63.4 mt -97.13 120.21 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' THR . . . -86.92 162.49 34.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.524 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' GLY . 92.8 m -36.62 -61.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.2 pttp -51.57 -58.94 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' LYS . 11.2 mtt -37.44 -48.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' SER . 94.8 mt -57.74 -49.72 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -39.68 -29.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.0 t -79.71 -49.9 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 78' ' ' ILE . 6.4 mt -55.58 -13.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 p -91.91 -50.1 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -48.14 -43.45 31.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 8.2 t0 -101.12 -1.56 33.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt 51.62 44.73 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 69' ' ' ILE . 77.9 t -50.71 138.2 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -136.79 178.63 6.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.83 147.98 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.35 -18.79 55.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.4 m-20 -96.29 170.69 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.92 113.74 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.573 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.1 pp -118.67 168.31 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 15' ' ' GLU . 70.5 p -121.13 170.75 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' CD2' ' A' ' 37' ' ' LEU . 20.4 mt -142.93 109.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.9 t70 -89.29 106.45 18.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -70.28 -29.98 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.68 -48.24 77.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -98.71 -13.19 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.36 27.11 72.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -113.73 153.0 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 70' ' ' THR . 19.9 mt -114.05 133.46 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -122.56 150.46 42.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CE ' ' OD2' ' A' ' 67' ' ' ASP . 83.9 tttt -105.97 136.45 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.6 HD11 ' CG2' ' A' ' 70' ' ' THR . 1.9 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -144.79 140.36 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.51 121.24 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.857 ' HB2' HG22 ' A' ' 70' ' ' THR . 24.5 tt0 -115.18 143.19 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.606 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -162.14 174.79 38.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -89.84 105.6 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 67' ' ' ASP . 50.7 t -39.34 105.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG21 ' CD ' ' A' ' 45' ' ' GLU . 83.9 t -90.81 -55.02 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -142.61 143.2 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HG11 ' A' ' 18' ' ' VAL . 81.8 mt -129.11 95.17 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.34 142.21 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.52 140.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 162.25 29.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HD2' HG22 ' A' ' 47' ' ' ILE . 1.2 tppp? -120.9 150.19 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.6 tp -137.82 145.83 42.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 39' ' ' LEU . 58.1 m -127.74 127.94 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 16' ' ' GLY . 7.5 mp -131.41 129.25 41.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' CA ' ' HG3' ' A' ' 45' ' ' GLU . 32.4 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.77 0.319 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' CD ' HG21 ' A' ' 19' ' ' VAL . 15.4 tt0 -99.69 114.42 27.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 m -105.84 149.77 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.517 HG22 ' HD2' ' A' ' 36' ' ' LYS . 65.6 mt -102.12 104.26 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 9.7 m-85 -83.77 131.2 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.9 136.27 33.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -108.2 172.81 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -137.82 -102.64 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.7 m -124.96 -47.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -39.87 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 mtt -61.61 -47.12 86.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 51' ' ' GLY . 95.3 mt -64.53 -45.05 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.62 -28.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.6 m -83.59 -47.2 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 HG21 ' A' ' 78' ' ' ILE . 8.6 mt -55.9 -13.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -90.3 -41.62 11.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -57.28 -49.58 75.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.43 -0.69 57.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.57 49.88 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.81 150.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -153.93 166.88 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.05 142.76 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.99 -29.51 11.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.2 m-20 -94.05 156.35 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 16' ' ' GLY . 86.3 t -103.4 115.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.657 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.3 pp -115.2 142.74 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.875 HG23 HD11 ' A' ' 81' ' ' LEU . 17.5 p -95.46 166.67 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 22.1 mt -141.37 109.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -88.17 106.8 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -65.4 -38.05 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.21 85.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.1 p -90.89 -12.11 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 56.7 36.45 71.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -122.46 158.05 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.775 HG21 HD21 ' A' ' 58' ' ' LEU . 60.2 mt -118.12 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -113.63 138.52 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.657 ' HA ' HG22 ' A' ' 69' ' ' ILE . 1.4 ttpm? -95.7 137.82 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 HG23 ' A' ' 70' ' ' THR . 5.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.959 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -144.38 140.54 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.63 133.91 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 70' ' ' THR . 77.5 tt0 -114.33 146.28 40.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.562 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -168.49 159.85 33.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -80.76 109.69 15.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 21' ' ' ILE . 50.0 t -51.86 124.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 40' ' ' LYS . 92.4 t -108.82 -47.53 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -144.1 137.56 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 18' ' ' VAL . 66.8 mt -128.84 96.22 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -89.93 139.99 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 mttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -149.06 154.25 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.57 169.68 37.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CE ' HG21 ' A' ' 47' ' ' ILE . 11.0 mtpt -129.65 119.14 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' HD11 ' A' ' 50' ' ' LEU . 3.0 tp -111.41 139.23 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -128.22 122.18 31.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.7 mp -114.03 138.18 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 19' ' ' VAL . 34.7 ttmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.304 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -116.83 137.99 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -121.27 151.89 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.521 HG21 ' CE ' ' A' ' 36' ' ' LYS . 5.3 mp -123.41 104.52 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -92.61 138.74 31.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.28 120.26 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 37' ' ' LEU . 56.0 mt -89.12 156.08 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.8 -127.89 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 m -101.66 -40.98 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -75.28 -44.49 45.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -53.81 -43.45 69.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' LEU . 83.0 mt -62.67 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.75 -28.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -84.94 -37.86 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.6 mt -71.8 -21.99 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -90.67 -48.77 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -29.76 17.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -112.55 -11.69 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mptt 63.75 38.55 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 69' ' ' ILE . 98.5 t -46.76 138.2 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -141.09 163.68 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.83 138.93 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.24 -36.03 4.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -91.37 132.94 35.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.402 HG11 ' OE2' ' A' ' 15' ' ' GLU . 81.2 t -79.98 112.93 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.572 HG21 HG11 ' A' ' 63' ' ' VAL . 2.7 pp -109.61 155.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 78' ' ' ILE . 24.5 p -106.32 164.91 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.59 109.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -92.19 105.22 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -70.78 -33.22 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.52 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -107.5 -23.92 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.69 27.29 20.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -108.71 154.93 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' THR . 32.8 mt -116.18 138.25 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.7 m -124.92 132.75 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -90.24 138.29 31.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -144.95 139.17 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG21 ' OH ' ' A' ' 48' ' ' TYR . 2.5 mt -136.39 125.57 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.98 144.08 43.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.03 164.52 37.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -81.1 118.03 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 67' ' ' ASP . 34.1 t -60.13 124.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 40' ' ' LYS . 86.4 t -111.96 -49.99 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -142.25 142.22 32.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 18' ' ' VAL . 96.7 mt -134.05 97.03 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.34 138.4 35.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.46 145.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.7 158.3 28.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 47' ' ' ILE . 6.4 tptm -119.24 148.73 42.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' A' ' 21' ' ' ILE . 3.1 tp -137.68 135.27 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 85.7 m -122.39 123.42 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.3 mp -113.7 134.1 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.506 ' HB2' HG21 ' A' ' 19' ' ' VAL . 5.5 ttpm? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.697 0.284 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 4.4 tt0 -120.22 134.69 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -126.71 153.13 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 36' ' ' LYS . 22.4 mt -113.61 140.16 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' OH ' HG21 ' A' ' 14' ' ' ILE . 91.7 m-85 -121.97 139.86 53.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.0 143.46 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.29 129.05 50.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.62 -121.17 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -108.26 -44.52 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -74.0 -37.25 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -60.65 -33.15 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.17 -40.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -53.83 -20.97 6.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 -45.79 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.882 HD21 HG21 ' A' ' 78' ' ' ILE . 4.3 mt -57.55 -28.43 63.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.7 p -79.04 -46.83 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -49.4 -53.23 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.69 0.96 55.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 50.93 40.4 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' HG21 ' A' ' 69' ' ' ILE . 74.7 t -46.38 129.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -129.98 164.25 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.49 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.8 -39.69 2.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.1 m-20 -82.86 143.37 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.81 112.58 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.554 HD13 HG23 ' A' ' 78' ' ' ILE . 2.1 pp -111.8 145.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.768 HG22 ' HB2' ' A' ' 15' ' ' GLU . 14.5 p -98.61 163.48 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mt -135.86 106.92 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t0 -83.28 107.45 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -75.11 -35.47 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.11 71.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 p -113.56 -10.39 13.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.94 41.65 99.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -120.62 158.21 27.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.882 HG21 HD21 ' A' ' 58' ' ' LEU . 84.0 mt -124.02 115.75 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -109.52 151.93 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 17.0 ttpp -109.31 139.99 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.523 HD12 ' CG ' ' A' ' 72' ' ' ASP . 3.1 mm -137.65 128.06 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' ILE . 0.4 OUTLIER -122.72 135.09 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.3 tt0 -125.47 138.63 54.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.784 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -162.25 170.21 37.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.1 tt0 -87.6 103.63 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 21' ' ' ILE . 25.2 t -41.72 125.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 40' ' ' LYS . 78.7 t -114.93 -50.52 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.61 134.67 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 18' ' ' VAL . 62.8 mt -126.78 95.01 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 53.2 mt-30 -82.2 139.31 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.5 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 55' ' ' ILE . 29.4 tptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.14 147.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.21 170.55 37.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -127.47 142.11 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD2' HD11 ' A' ' 71' ' ' ILE . 6.1 tp -125.33 132.51 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 47' ' ' ILE . 76.3 m -118.55 126.36 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.784 HD23 ' CA ' ' A' ' 16' ' ' GLY . 9.7 mp -120.56 137.55 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 19' ' ' VAL . 28.3 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.539 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 1.8 ttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -134.0 112.65 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 47' ' ' ILE . 26.4 m -99.01 152.69 19.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 38' ' ' THR . 23.6 mm -124.12 138.22 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' HE2' HD22 ' A' ' 39' ' ' LEU . 20.3 m-85 -126.51 138.68 53.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -89.94 132.38 35.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.29 137.08 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.86 -106.37 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -119.93 -29.76 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -85.07 -46.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -49.64 -37.98 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.596 HD12 ' HG2' ' A' ' 33' ' ' LYS . 88.4 mt -68.69 -50.55 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.04 -31.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 m -78.12 -49.96 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -64.62 -11.62 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -93.52 -50.07 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.3 ptmt -53.94 -30.72 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 2.7 t70 -114.26 7.31 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm 42.3 35.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 69' ' ' ILE . 69.7 t -40.01 123.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -118.89 166.02 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.97 135.48 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.87 -35.36 3.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.35 168.15 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.7 t -113.94 104.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.546 HD13 ' CG2' ' A' ' 78' ' ' ILE . 1.7 pp -114.28 145.94 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.808 HG23 HD11 ' A' ' 81' ' ' LEU . 81.2 p -100.07 173.08 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 37' ' ' LEU . 77.9 mt -140.67 109.49 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CG ' HD12 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -88.14 103.51 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -62.52 -37.96 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.97 -52.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 77' ' ' LYS . 14.4 t -123.18 8.04 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.11 31.63 73.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 75' ' ' THR . 12.6 mttm -97.33 144.54 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.546 ' CG2' HD13 ' A' ' 69' ' ' ILE . 91.4 mt -111.13 132.86 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -124.59 142.79 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.9 ttpm? -94.7 140.74 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -139.39 148.65 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -147.34 125.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.4 138.15 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.572 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -157.59 165.15 33.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -80.72 104.1 11.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 21' ' ' ILE . 48.4 t -40.93 103.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.73 -52.14 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -153.17 146.21 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.509 HD11 HG11 ' A' ' 18' ' ' VAL . 55.1 mt -127.41 95.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -91.58 149.0 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.475 HD13 ' HA3' ' A' ' 35' ' ' GLY . 47.0 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 m -145.0 138.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -155.36 145.9 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 27.2 mmtm -103.73 135.85 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 39' ' ' LEU . 4.9 tp -121.92 150.06 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 39' ' ' LEU . 41.2 m -131.04 129.63 42.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 38' ' ' THR . 7.4 mp -135.59 126.47 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 6.1 tt0 -98.82 132.77 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -123.44 137.96 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.443 ' CG2' ' HD2' ' A' ' 36' ' ' LYS . 61.8 mt -90.13 103.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.88 147.98 24.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.41 146.3 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 37' ' ' LEU . 25.2 mt -120.44 151.42 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.69 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -117.56 -128.78 4.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 m -99.23 -51.6 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.86 -48.98 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 mtt -53.35 -53.4 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 51' ' ' GLY . 94.6 mt -59.97 -55.72 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -41.89 -24.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ILE . 22.9 t -83.33 -47.47 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . 10.8 mt -58.85 -10.8 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -93.02 -36.97 12.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -69.07 -32.38 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 63' ' ' VAL . 1.6 p30 -94.74 -14.98 24.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.96 42.16 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 61' ' ' ASP . 98.0 t -59.33 140.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -143.51 163.21 33.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.39 136.31 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.41 -31.94 5.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.7 166.09 13.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.88 112.32 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.713 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.3 pp -114.24 149.97 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.992 HG23 HD11 ' A' ' 81' ' ' LEU . 46.3 p -98.27 173.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -144.13 106.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' OD2' ' HB3' ' A' ' 74' ' ' ALA . 1.5 t70 -92.56 107.13 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ALA . 25.4 mttm -68.11 -39.95 82.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -34.64 -54.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -112.07 -29.83 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 100.02 30.37 6.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -97.11 158.02 15.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' THR . 20.3 mt -132.79 118.54 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.8 m -108.13 153.98 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 69' ' ' ILE . 30.1 tttt -99.24 142.98 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.992 HD11 HG23 ' A' ' 70' ' ' THR . 4.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mt -144.8 140.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.405 HG21 ' OH ' ' A' ' 48' ' ' TYR . 3.2 mt -142.76 119.87 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.976 ' HB2' HG22 ' A' ' 70' ' ' THR . 28.7 tt0 -107.53 152.39 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -170.84 167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -81.12 116.92 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.871 HG11 HD11 ' A' ' 21' ' ' ILE . 44.0 t -57.53 107.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 40' ' ' LYS . 73.6 t -95.2 -54.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -138.36 142.12 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.871 HD11 HG11 ' A' ' 18' ' ' VAL . 74.8 mt -131.53 95.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -82.1 134.49 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.72 142.91 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.77 170.79 34.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -124.46 158.16 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 71' ' ' ILE . 2.7 tp -141.49 129.35 21.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.7 m -113.76 121.59 44.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.7 mp -114.47 129.93 56.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 19' ' ' VAL . 26.7 ttmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -114.53 149.91 35.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -148.72 145.68 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.24 121.38 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' OH ' HG21 ' A' ' 14' ' ' ILE . 61.9 m-85 -99.1 143.17 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.01 133.28 34.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.79 141.44 46.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.15 -122.16 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.3 m -114.7 -20.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -41.47 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.45 -32.03 69.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.98 -39.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.34 -26.45 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.9 t -79.15 -56.68 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 78' ' ' ILE . 5.5 mt -51.65 -17.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 -39.98 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -67.6 -20.4 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.725 ' CG ' HG23 ' A' ' 63' ' ' VAL . 5.7 p30 -107.6 -13.42 15.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.7 33.13 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.725 HG23 ' CG ' ' A' ' 61' ' ' ASP . 91.1 t -51.84 141.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -138.08 161.26 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.2 138.34 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.48 23.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.8 t70 -90.22 166.41 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.2 t -109.88 104.81 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -113.57 144.16 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.991 HG23 HD11 ' A' ' 81' ' ' LEU . 40.9 p -94.99 173.06 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 37' ' ' LEU . 72.0 mt -143.79 107.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -90.29 106.71 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.96 -38.93 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.47 -60.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -104.1 -19.7 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 85.0 31.78 22.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -103.55 158.09 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 58' ' ' LEU . 28.4 mt -124.77 138.62 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -128.48 153.76 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.465 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.6 ttpt -101.12 140.13 35.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.991 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.1 mt -144.96 142.39 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.92 119.91 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.785 ' HB2' HG22 ' A' ' 70' ' ' THR . 8.5 tt0 -109.55 125.2 52.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.3 169.23 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 34.6 tt0 -86.98 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.932 0.396 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' ASP . 45.0 t -36.92 102.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.2 -55.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -148.61 141.35 24.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 18' ' ' VAL . 79.7 mt -123.71 95.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.21 149.15 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.2 148.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.05 162.91 29.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -112.13 142.39 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -131.89 137.11 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -119.27 125.94 50.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.8 mp -128.39 138.99 52.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 30.3 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ptt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.694 0.283 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' HG3' ' A' ' 40' ' ' LYS . 5.9 mp0 -92.75 128.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.5 m -122.16 134.38 54.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mt -82.99 143.12 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.68 148.18 48.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.92 108.21 19.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 37' ' ' LEU . 35.9 mt -88.2 120.72 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 179.4 34.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.2 m -52.93 -49.95 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -62.26 -44.05 97.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.0 mtt -54.78 -49.35 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 77.9 mt -57.86 -51.61 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -42.01 -25.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.9 m -86.08 -40.06 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.7 mt -61.52 -11.34 10.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.8 p -89.94 -53.41 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -47.95 -46.72 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.0 m-20 -102.33 13.36 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 61' ' ' ASP . 9.3 mtpm? 32.33 51.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.644 ' CG1' HG21 ' A' ' 69' ' ' ILE . 73.2 t -52.13 123.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -132.03 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 142.86 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.52 -31.21 8.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.7 m-20 -93.85 159.98 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.9 t -105.28 112.99 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CG1' ' A' ' 63' ' ' VAL . 2.7 pp -115.08 144.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.785 HG22 ' HB2' ' A' ' 15' ' ' GLU . 77.9 p -99.7 164.38 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.69 106.93 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 74' ' ' ALA . 3.0 t70 -88.23 107.98 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -72.5 -32.19 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -51.41 -48.41 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.94 -32.1 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.8 29.27 10.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -116.46 158.09 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.298 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 70' ' ' THR . 30.2 mt -117.04 126.5 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 150.18 28.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.433 ' C ' HD23 ' A' ' 81' ' ' LEU . 44.7 tttm -106.8 140.05 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 70' ' ' THR . 5.3 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.7 145.96 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 48' ' ' TYR . 2.4 mt -142.15 128.13 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.799 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -168.47 159.63 32.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -80.62 106.43 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 21' ' ' ILE . 3.3 t -43.03 124.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 95.2 t -109.58 -48.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -149.09 141.26 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.691 HD11 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -133.78 119.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.0 tt0 -123.06 146.43 47.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.7 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.15 131.24 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.88 23.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -114.69 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.1 tp -118.17 134.26 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -120.67 124.21 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.38 139.57 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 40.6 tttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -126.57 118.32 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 m -106.59 148.99 27.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.76 113.85 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HE2' HD12 ' A' ' 14' ' ' ILE . 21.8 m-85 -93.58 151.03 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -100.69 120.56 40.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD21 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -101.72 138.49 38.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.23 -103.38 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -119.08 -62.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -49.88 -44.35 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.483 ' SD ' HD11 ' A' ' 78' ' ' ILE . 26.2 mtt -53.21 -50.77 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.42 -43.64 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.85 -26.91 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -86.47 -45.13 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -22.73 51.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.2 p -83.96 -49.65 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -48.98 -36.95 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.24 -9.65 17.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 61.6 34.08 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.0 t -40.82 129.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -131.1 173.24 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.42 132.01 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.98 -29.57 5.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.6 m-20 -88.07 171.95 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.86 113.7 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.677 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.6 pp -118.52 149.01 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.866 HG23 HD11 ' A' ' 81' ' ' LEU . 15.4 p -98.43 161.79 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 48' ' ' TYR . 68.6 mt -131.04 112.08 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.54 106.19 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -71.5 -36.71 71.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.6 -40.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -122.95 -38.04 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.15 4.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -105.55 151.28 24.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 70' ' ' THR . 19.6 mt -119.46 122.47 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -107.23 154.01 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.589 ' HG3' HG22 ' A' ' 69' ' ' ILE . 13.1 tttm -105.07 136.58 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.866 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.2 mm -134.5 146.03 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 73' ' ' LYS . 1.9 mt -147.99 129.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' HG22 ' A' ' 70' ' ' THR . 30.5 tt0 -115.86 129.93 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' HA3' HD23 ' A' ' 39' ' ' LEU . . . -149.69 159.84 28.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -80.69 104.44 11.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 21' ' ' ILE . 48.7 t -42.79 127.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 92.8 t -111.07 -49.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.68 137.38 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 56.5 mt -126.27 95.34 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -86.54 147.17 26.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mttp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -147.57 150.35 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.0 167.88 35.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -126.82 119.48 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -106.61 139.49 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -127.05 119.92 27.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -109.86 144.38 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 34.2 ttpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.707 0.289 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -106.83 138.02 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 m -123.62 136.09 54.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -110.78 132.2 59.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.62 135.31 54.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -75.26 121.39 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 37' ' ' LEU . 44.5 mt -96.25 125.51 40.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.36 -127.7 5.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 m -100.64 -68.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.85 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.85 -46.15 58.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.4 -43.56 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -49.01 -34.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -72.37 -40.57 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.18 -17.43 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.9 p -92.06 -45.0 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.45 6.07 47.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp 40.61 52.5 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.704 HG11 HG21 ' A' ' 69' ' ' ILE . 87.2 t -62.77 130.81 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.8 171.52 13.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.25 146.76 54.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.01 -28.63 14.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.36 164.33 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.9 t -107.37 113.98 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.704 HG21 HG11 ' A' ' 63' ' ' VAL . 2.6 pp -113.92 141.57 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 HD11 ' A' ' 81' ' ' LEU . 19.2 p -96.8 161.52 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.7 mt -132.07 124.87 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -107.34 100.45 9.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HE3' HD11 ' A' ' 14' ' ' ILE . 37.4 mttt -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.4 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -122.68 -11.59 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.82 16.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.65 156.64 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' THR . 23.0 mt -121.44 143.16 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -129.14 153.36 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.45 141.48 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 70' ' ' THR . 1.9 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' ' OD2' ' A' ' 72' ' ' ASP . 4.6 mm -137.39 146.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -149.39 114.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 70' ' ' THR . 12.6 tt0 -102.92 124.73 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.76 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -137.77 166.25 25.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 29.9 tt0 -93.1 106.87 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.928 HG11 HD11 ' A' ' 21' ' ' ILE . 4.0 t -43.11 110.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' GLU . 92.4 t -101.6 -52.15 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -141.79 138.34 32.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.928 HD11 HG11 ' A' ' 18' ' ' VAL . 50.2 mt -130.25 110.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -117.75 134.38 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -143.0 154.23 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -161.0 162.07 33.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 47' ' ' ILE . 18.8 ttpt -116.47 130.14 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.635 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.1 tp -124.09 145.3 49.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 89.1 m -128.23 126.38 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.76 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.1 mp -130.19 136.13 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 14.2 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.736 0.303 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 40.8 mt-10 -92.65 159.52 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.7 m -150.2 134.17 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 36' ' ' LYS . 7.7 mt -82.77 126.61 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -104.49 117.59 34.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.16 116.98 4.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.1 mt -98.01 162.61 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.3 -111.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 m -120.09 -36.6 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -76.57 -41.4 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.15 -43.47 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.27 -42.77 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -46.2 -27.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.9 m -83.14 -49.54 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.8 -12.08 9.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.3 p -93.79 -51.6 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -52.71 -27.87 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LYS . 5.8 m-20 -120.96 11.11 10.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ASP . 30.4 mmtm 35.11 45.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.45 134.64 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -130.25 177.29 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.78 141.76 56.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.52 -30.55 8.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.6 m-20 -87.55 171.12 10.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.11 115.63 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -120.37 147.66 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 1.084 HG23 HD11 ' A' ' 81' ' ' LEU . 58.8 p -95.91 171.69 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.76 108.57 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -89.77 99.89 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.35 -37.36 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.5 -56.89 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 77' ' ' LYS . 8.8 t -121.64 14.58 10.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.6 25.38 55.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 75' ' ' THR . 7.9 mmtp -85.51 155.46 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 70' ' ' THR . 45.3 mt -129.2 134.63 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -123.97 152.32 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HG3' HG22 ' A' ' 69' ' ' ILE . 3.5 ttpm? -100.43 135.84 41.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.084 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -79.27 -45.03 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 t -46.46 127.27 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.37 135.57 4.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -150.33 169.32 21.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -78.46 90.2 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.0 -110.52 0.8 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.7 tttp 59.13 45.84 13.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -87.6 35.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 114.28 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.4 m -117.29 138.35 51.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.57 35.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mm -139.66 138.69 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.534 HD11 ' HD2' ' A' ' 73' ' ' LYS . 1.9 mt -136.26 127.26 42.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.79 ' HB2' HG22 ' A' ' 70' ' ' THR . 36.2 tt0 -120.5 127.02 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.765 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -146.23 177.59 24.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.76 105.68 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.774 HG11 HD11 ' A' ' 21' ' ' ILE . 11.7 t -41.44 98.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -80.68 -56.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.35 150.07 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.774 HD11 HG11 ' A' ' 18' ' ' VAL . 20.2 mt -132.91 98.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.41 138.1 31.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -127.92 119.42 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -88.09 132.94 34.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -87.12 155.73 54.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . 54.0 Cg_endo -69.74 -7.02 19.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . -35.84 -43.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 m -158.46 141.46 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.81 -110.17 0.6 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 p -121.36 -48.32 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 -62.31 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.763 ' O ' HG13 ' A' ' 34' ' ' VAL . 17.8 m -49.56 123.42 7.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.897 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -48.52 122.8 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 32' ' ' SER . 2.2 m -132.07 139.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.03 171.72 26.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -128.93 122.49 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 50' ' ' LEU . 8.7 tp -113.1 140.77 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 39' ' ' LEU . 77.4 m -122.31 130.6 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.765 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.0 mp -132.57 137.68 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -90.21 99.75 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 p -127.02 135.48 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 42' ' ' THR . 29.1 m 62.78 54.84 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 48.17 25.01 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -153.9 144.97 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -99.53 140.06 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -130.53 134.69 47.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.36 142.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' A' ' 14' ' ' ILE . 55.0 m-85 -127.05 132.74 50.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.97 121.81 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 37' ' ' LEU . 1.8 mt -99.75 127.85 45.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.72 -126.02 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -110.82 -19.74 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -94.25 -28.27 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.3 mtt -69.96 -33.65 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.21 -49.28 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -46.1 -33.64 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.4 m -71.46 -40.01 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -71.72 -18.2 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.8 p -89.04 -53.31 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -48.83 -34.36 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.24 5.89 18.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 69' ' ' ILE . 81.6 t -55.38 126.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -123.92 174.91 7.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.76 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.38 -31.29 7.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.9 m-20 -84.46 172.08 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG12 HD13 ' A' ' 81' ' ' LEU . 24.6 t -116.68 120.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -127.03 156.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 1.076 HG23 HD11 ' A' ' 81' ' ' LEU . 40.6 p -107.07 169.42 8.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 37' ' ' LEU . 46.8 mt -140.79 116.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 76' ' ' GLY . 8.3 t0 -94.58 105.34 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.534 ' HD2' HD11 ' A' ' 14' ' ' ILE . 12.6 mtpt -74.6 -21.2 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.1 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -105.89 -18.32 14.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 81.76 26.92 48.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -109.88 155.47 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.691 0.282 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 70' ' ' THR . 34.9 mt -119.51 141.8 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 m -128.33 152.95 47.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -101.82 138.56 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.076 HD11 HG23 ' A' ' 70' ' ' THR . 0.4 OUTLIER -116.69 -37.65 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.83 -102.54 0.9 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -115.91 175.58 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.2 t -151.84 166.34 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -107.63 98.38 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.4 m -95.1 134.85 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.186 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -91.62 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.16 152.23 36.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -88.39 129.86 35.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -119.7 -55.7 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.33 -94.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 110.82 2.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.4 p -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -121.11 -45.86 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 p -69.07 105.51 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -92.69 174.75 7.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.96 -151.2 6.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -134.49 168.26 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -173.45 171.99 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.04 -155.8 26.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.77 -33.95 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -126.84 131.53 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.29 144.48 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.69 112.71 25.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.794 ' OE2' ' HB2' ' A' ' 74' ' ' ALA . 10.3 pt-20 -87.79 34.9 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.02 144.64 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.68 132.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' HB2' HG22 ' A' ' 70' ' ' THR . 47.4 tt0 -119.74 120.65 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.648 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.78 168.1 26.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.31 106.87 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 21' ' ' ILE . 6.6 t -41.4 114.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.1 t -100.55 -52.72 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -143.45 139.56 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.744 HD11 HG11 ' A' ' 18' ' ' VAL . 82.8 mt -126.21 97.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.7 mm100 -100.35 148.3 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.1 mm -136.45 125.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' HG23 ' A' ' 34' ' ' VAL . 10.7 m-20 -88.63 114.99 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.37 156.55 62.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.63 18.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.23 119.19 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.9 p 43.03 40.57 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.85 157.58 8.69 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.7 m -125.66 150.0 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.337 . . . . 0.0 111.131 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.51 -102.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 34' ' ' VAL . 14.4 m -123.19 99.43 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . 11.2 mtpt -43.89 140.32 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 24' ' ' ASP . 4.0 m -134.22 155.65 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -153.85 160.65 29.48 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -125.39 130.2 51.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 39' ' ' LEU . 6.0 tp -127.13 140.65 52.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' LEU . 62.8 m -120.98 128.61 52.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.5 mp -127.88 137.52 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -90.28 99.72 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' HA3' ' A' ' 16' ' ' GLY . 1.1 p -128.37 138.96 52.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.41 55.06 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 48.1 25.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . 11.5 ptt? -153.02 148.65 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.77 138.83 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -130.49 147.65 52.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mp -94.39 146.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 21.2 m-85 -122.27 135.5 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.28 112.83 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 35' ' ' GLY . 24.8 mt -96.56 150.77 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' LYS . . . -112.76 -108.94 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -121.66 -50.05 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -65.83 -34.71 78.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -61.69 -38.67 88.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 59' ' ' THR . 91.5 mt -70.23 -45.35 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -48.49 -31.49 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -74.22 -47.92 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 HD13 ' A' ' 78' ' ' ILE . 6.3 mt -57.62 -15.88 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 55' ' ' ILE . 18.1 p -91.42 -56.11 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -45.49 -31.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -113.39 -4.66 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm 52.93 49.5 20.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 69' ' ' ILE . 40.7 t -61.17 131.05 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 13.7 mm-40 -131.43 -179.09 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.22 151.45 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.57 -27.68 18.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.0 m-20 -90.63 171.97 9.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 81' ' ' LEU . 20.2 t -115.19 122.65 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.905 HG21 HG11 ' A' ' 63' ' ' VAL . 2.3 pp -130.37 147.52 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.954 HG23 HD11 ' A' ' 81' ' ' LEU . 21.5 p -101.64 165.19 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 54.7 mt -134.31 107.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -89.2 101.2 13.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -64.33 -41.73 96.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.794 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . . . -48.07 -49.4 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -100.08 -9.53 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.5 36.0 92.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -121.93 156.09 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.478 HD13 HD21 ' A' ' 58' ' ' LEU . 25.2 mt -111.4 129.38 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -115.24 152.8 32.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.8 ttpm? -106.38 139.28 41.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.954 HD11 HG23 ' A' ' 70' ' ' THR . 0.3 OUTLIER -123.15 145.12 48.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' LEU . . . -34.0 -81.17 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -169.2 172.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -57.79 130.33 45.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -63.24 -66.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.7 m -63.07 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -116.47 -18.42 10.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 42.25 42.1 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -65.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.0 p -91.27 169.87 10.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.1 -171.93 15.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.54 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 151.86 69.54 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.2 t -106.91 132.09 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 m -96.45 152.13 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.406 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -156.1 176.83 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -103.97 146.77 28.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.09 52.99 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -159.67 139.52 11.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -144.24 129.75 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.4 72.15 0.83 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -144.85 156.42 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.705 0.288 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.12 119.48 12.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -170.74 142.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -147.75 160.89 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -127.47 26.59 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 72' ' ' ASP . 3.6 mm -136.13 141.37 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -144.3 123.31 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.804 ' HB2' HG22 ' A' ' 70' ' ' THR . 10.3 tt0 -112.84 135.99 52.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.554 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -153.33 169.3 32.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 68' ' ' VAL . 35.6 tt0 -84.55 113.26 21.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 65' ' ' ALA . 60.3 t -48.3 114.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.8 t -99.93 -44.41 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -157.24 150.2 23.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.0 mt -140.35 118.93 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.749 ' C ' HD12 ' A' ' 23' ' ' ILE . 36.3 mt-30 -125.91 152.13 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.3 mp -140.7 121.96 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -95.68 118.82 33.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -78.93 154.28 77.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 136.06 32.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' THR . . . -45.82 168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ALA . 35.3 p -34.67 107.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.96 -141.88 13.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 p -134.32 148.07 50.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.98 -127.29 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -109.72 170.93 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.932 0.396 . . . . 0.0 110.804 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -121.56 131.51 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.0 m -132.31 121.07 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.27 169.18 14.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' CE ' HG21 ' A' ' 47' ' ' ILE . 2.4 mtpm? -127.51 125.79 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.9 tp -119.74 144.64 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.5 ' H ' HD12 ' A' ' 37' ' ' LEU . 86.5 m -129.58 112.21 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.89 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -111.92 144.68 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -99.98 99.65 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.0 t -135.52 150.48 49.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m 59.47 54.2 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 47.36 25.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' THR . 3.6 ptt? -156.38 168.32 27.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -115.46 127.76 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.5 m -111.79 138.68 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.557 HG21 ' CE ' ' A' ' 36' ' ' LYS . 4.7 mp -95.05 116.3 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -106.78 127.58 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -79.17 128.0 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.2 mt -102.08 149.33 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -103.42 -121.96 5.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -105.73 -44.69 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.83 -50.08 46.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.7 mtt -42.94 -49.83 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 51' ' ' GLY . 61.8 mt -60.99 -51.95 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -40.45 -31.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -80.49 -44.24 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 78' ' ' ILE . 5.4 mt -68.73 -18.76 64.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.4 p -86.37 -44.57 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -66.2 -37.28 85.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.5 5.23 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 40.26 54.28 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.67 130.75 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -128.36 164.01 23.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -55.54 149.56 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.34 -36.77 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.66 172.02 13.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 17' ' ' GLU . 94.6 t -123.2 111.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 HG21 ' A' ' 78' ' ' ILE . 6.1 pt -111.08 171.63 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.077 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.956 HG23 HD11 ' A' ' 81' ' ' LEU . 17.9 p -122.55 172.75 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.8 mt -141.09 115.3 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' HA ' HD13 ' A' ' 13' ' ' ILE . 8.4 t0 -100.46 105.49 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ALA . 39.6 mttp -67.88 -37.75 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.21 -54.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -111.98 -25.97 9.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.14 27.87 10.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -106.12 155.98 18.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.321 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 70' ' ' THR . 20.8 mt -120.16 136.23 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t -117.53 153.42 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.96 141.08 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.956 HD11 HG23 ' A' ' 70' ' ' THR . 1.7 mt -124.87 45.9 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.1 -145.31 34.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -94.02 -11.01 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.847 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -174.81 145.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -94.71 99.97 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.3 m -65.75 120.71 13.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.9 173.18 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.92 94.69 5.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -129.42 126.17 38.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.9 p -88.53 113.17 23.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.3 171.41 43.95 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 179.21 3.86 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -147.31 135.46 21.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -58.28 87.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -155.12 169.54 23.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -107.39 145.85 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.29 -129.32 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -158.1 171.73 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -82.82 166.76 18.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.48 -105.68 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -55.33 124.49 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -111.81 118.96 37.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -174.02 135.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 p -117.53 108.22 15.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' HD13 ' A' ' 13' ' ' ILE . 26.5 mt-10 -111.99 30.48 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 12' ' ' GLU . 3.2 mm -141.51 128.73 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -132.0 116.18 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.686 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.1 OUTLIER -106.57 140.13 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 165.98 33.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.02 107.02 13.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 65' ' ' ALA . 48.9 t -43.04 106.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 45' ' ' GLU . 60.0 t -86.92 -52.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 4.6 tp10 -153.88 148.65 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 78.5 mt -133.14 129.36 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.703 ' C ' HD12 ' A' ' 23' ' ' ILE . 9.3 mt-30 -136.77 151.32 49.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.703 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.5 mp -137.66 140.04 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.94 124.86 52.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -93.69 144.02 27.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.36 64.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.57 -53.32 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -71.91 168.67 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -50.8 -83.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.8 m -81.3 121.71 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.24 -153.85 6.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.3 p -134.78 173.99 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' A' ' 52' ' ' THR . 39.2 mtmt -123.33 133.86 54.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' VAL . 5.0 m -132.54 116.1 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.69 156.55 15.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -116.8 117.94 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.942 ' HB2' HD11 ' A' ' 50' ' ' LEU . 6.3 tp -113.79 146.67 39.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.8 m -131.28 115.72 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 37' ' ' LEU . 7.5 mp -115.65 138.82 50.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 36.9 ttmt -89.72 100.1 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -130.06 136.29 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 42' ' ' THR . 20.6 m 64.38 54.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 48.15 25.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -156.66 152.7 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' HG21 ' A' ' 19' ' ' VAL . 26.7 mt-10 -103.17 140.27 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -128.03 135.16 49.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.03 127.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -114.17 121.76 44.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -62.33 114.15 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 37' ' ' LEU . 79.7 mt -90.15 122.0 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.13 171.21 38.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' HE3' ' A' ' 33' ' ' LYS . 61.6 m -53.4 -35.4 60.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -45.67 52.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 mtt -53.95 -47.89 70.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mt -57.25 -50.91 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -46.61 -23.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.8 m -89.11 -38.45 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.43 HD21 HD13 ' A' ' 78' ' ' ILE . 5.0 mt -70.83 -15.54 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 p -89.13 -38.19 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -66.07 -37.06 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -2.64 52.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.4 mttt 53.97 33.64 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.8 t -45.0 138.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -141.78 165.12 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 18' ' ' VAL . . . -61.72 145.85 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.65 29.83 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.73 170.96 9.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 84' ' ' SER . 68.9 t -117.3 112.16 37.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.515 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -116.84 154.54 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.915 HG23 HD11 ' A' ' 81' ' ' LEU . 41.4 p -104.17 166.17 10.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.3 mt -136.07 112.67 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.17 105.62 17.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -70.06 -27.22 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.48 16.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.474 HG23 ' HG2' ' A' ' 77' ' ' LYS . 15.1 t -110.97 -16.51 13.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.74 29.08 30.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG2' HG23 ' A' ' 75' ' ' THR . 20.4 mmtp -101.49 158.26 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 70' ' ' THR . 22.1 mt -127.43 126.62 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -112.75 153.46 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HG3' HG22 ' A' ' 69' ' ' ILE . 16.0 tttm -102.75 139.96 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.915 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -125.05 -45.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.51 -78.3 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.461 ' N ' HG21 ' A' ' 68' ' ' VAL . 74.5 p -82.84 153.16 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 87' ' ' ARG . 96.6 m-85 -70.99 141.23 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.5 p -141.26 126.62 18.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -160.51 151.64 19.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.26 144.82 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -66.25 -39.9 89.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -154.76 157.98 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.43 137.52 37.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.1 2.99 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.2 p -151.09 156.48 41.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -140.54 151.27 44.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -70.02 92.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -53.02 176.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.06 57.87 4.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -156.16 167.86 29.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -163.58 122.48 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -98.6 -90.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -57.26 81.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . 9.9 tt0 -62.0 108.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -90.43 121.79 32.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 11' ' ' THR . 9.1 m -95.18 28.81 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 33.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -145.04 140.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -132.63 114.19 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.649 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -104.07 141.88 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.799 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.91 174.79 41.58 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -90.05 119.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG12 ' A' ' 69' ' ' ILE . 3.8 t -52.74 108.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 45' ' ' GLU . 78.4 t -92.33 -53.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -149.95 141.83 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 18' ' ' VAL . 46.9 mt -125.54 100.25 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -89.04 155.84 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mm -131.32 120.77 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.738 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.4 t70 -93.21 104.72 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -44.48 149.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ALA . 53.6 Cg_endo -69.69 2.33 3.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.713 2.275 . . . . 0.0 112.347 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . -34.92 -42.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -75.81 121.02 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' THR . . . -56.59 -45.4 90.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 38.7 p -34.3 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.94 150.85 20.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.9 m -93.28 -19.03 21.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.969 0.414 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HB3' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -174.03 136.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.738 HG23 ' HB3' ' A' ' 24' ' ' ASP . 11.5 m -155.35 162.55 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' N ' HD11 ' A' ' 55' ' ' ILE . . . -157.27 151.85 23.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 47' ' ' ILE . 45.5 tttt -112.62 118.1 34.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 50' ' ' LEU . 10.3 tp -110.41 138.08 47.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.79 125.28 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.799 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.9 mp -116.1 152.07 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -89.97 101.02 13.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.6 OUTLIER -91.05 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 43' ' ' GLU . 93.8 m -37.62 116.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 42' ' ' THR . 13.6 mt-10 31.79 41.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 41' ' ' THR . 2.0 ptm -167.48 158.75 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' A' ' 19' ' ' VAL . 3.8 tt0 -123.76 117.07 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 m -105.49 150.64 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.614 HG21 ' HE2' ' A' ' 36' ' ' LYS . 16.2 mt -116.42 116.99 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.749 ' HE2' HD22 ' A' ' 39' ' ' LEU . 15.2 m-85 -97.05 142.32 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.48 128.39 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 37' ' ' LEU . 13.7 mt -99.1 119.01 37.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.33 168.75 35.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.859 HG23 ' HB3' ' A' ' 33' ' ' LYS . 1.7 m -52.37 -19.25 2.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.365 . . . . 0.0 111.136 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -93.71 -35.62 12.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.682 ' HE2' HG23 ' A' ' 71' ' ' ILE . 20.1 mtt -63.95 -44.88 91.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.672 HD11 ' C ' ' A' ' 34' ' ' VAL . 66.7 mt -62.42 -47.46 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.26 -21.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -91.64 -36.29 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 58' ' ' LEU . 5.7 mt -68.27 -11.56 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.3 p -90.25 -43.42 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 18.3 pttp -63.71 -35.08 79.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 63.3 m-20 -102.27 6.22 40.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt 38.03 47.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 69' ' ' ILE . 87.6 t -55.37 125.12 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -121.47 169.9 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 163.38 11.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.21 -25.77 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.716 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.8 m-20 -84.36 171.82 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 81' ' ' LEU . 45.4 t -115.96 118.78 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.799 HG22 ' HG2' ' A' ' 80' ' ' LYS . 6.4 pt -123.84 159.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 1.042 HG23 HD11 ' A' ' 81' ' ' LEU . 18.7 p -115.82 160.38 20.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.682 HG23 ' HE2' ' A' ' 54' ' ' MET . 20.4 mt -135.41 110.83 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.2 t70 -92.08 105.35 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -65.77 -28.57 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -66.6 -58.58 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -87.98 -11.76 46.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 62.72 31.46 80.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -118.19 157.31 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 70' ' ' THR . 33.1 mt -120.57 139.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 m -132.08 151.95 51.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.799 ' HG2' HG22 ' A' ' 69' ' ' ILE . 20.3 mtpt -98.11 143.06 29.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.042 HD11 HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER -128.04 149.3 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.11 -50.23 6.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -170.79 172.62 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.8 p -82.3 135.23 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -112.72 137.13 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -137.27 161.93 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -115.18 156.81 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.63 132.15 35.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -129.82 90.2 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.9 m -40.24 134.21 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -43.57 142.55 2.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.1 m -59.24 161.01 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 m -55.45 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -98.33 138.09 36.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.2 -153.66 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -171.16 164.03 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -98.89 -46.0 5.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.32 -86.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -88.4 121.77 31.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -168.88 114.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.88 101.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 13' ' ' ILE . 40.7 m -58.67 122.06 12.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' CD ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 pt-20 -86.21 30.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.553 ' H ' HG22 ' A' ' 11' ' ' THR . 25.3 mt -144.01 138.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mt -136.81 120.59 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.695 ' HB2' HG22 ' A' ' 70' ' ' THR . 29.4 tt0 -108.37 140.59 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.674 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -159.38 173.43 36.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' HG22 ' A' ' 68' ' ' VAL . 36.9 tt0 -89.59 109.03 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.4 t -50.64 113.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.8 t -99.36 -53.07 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -142.94 143.61 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.556 HD11 HG11 ' A' ' 18' ' ' VAL . 88.2 mt -131.87 96.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -84.27 142.96 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mm -140.2 117.77 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -103.43 109.8 21.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -64.78 149.81 95.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.41 50.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.64 174.2 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -73.11 115.53 12.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.96 -119.34 1.91 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.6 p -132.1 140.22 48.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 170.09 177.77 40.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -122.21 141.66 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.412 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HD2' HG23 ' A' ' 52' ' ' THR . 55.6 mttm -58.51 148.04 29.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.7 m -140.1 146.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.38 154.92 26.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 tttm -129.59 119.07 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.358 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 39' ' ' LEU . 4.8 tp -113.9 143.65 44.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.0 m -130.89 118.82 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.507 HD22 ' HE2' ' A' ' 48' ' ' TYR . 7.6 mp -111.67 138.12 48.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -89.96 100.93 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 6.5 p -95.59 169.82 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' GLU . 84.0 m -37.81 111.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' THR . 14.4 mm-40 34.45 42.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -165.94 132.27 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -112.45 115.72 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -107.55 135.24 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.606 HG21 ' NZ ' ' A' ' 36' ' ' LYS . 13.4 mt -103.3 109.82 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.507 ' HE2' HD22 ' A' ' 39' ' ' LEU . 25.7 m-85 -92.25 139.85 30.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.5 p-10 -85.09 158.07 20.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 49' ' ' ASP . 23.3 mt -131.1 161.34 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 55' ' ' ILE . . . -123.81 -125.85 3.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HD2' ' A' ' 33' ' ' LYS . 29.0 m -101.95 -41.54 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -77.03 -46.91 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.4 mtt -51.37 -35.35 38.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 81.5 mt -69.46 -49.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.44 -27.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -76.52 -40.57 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 78' ' ' ILE . 6.5 mt -74.45 -14.1 60.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.1 p -93.89 -40.57 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -30.63 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 5.4 m-20 -105.0 3.71 30.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt 43.27 49.3 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG22 ' HZ2' ' A' ' 80' ' ' LYS . 79.2 t -62.97 131.83 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -130.27 170.16 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.56 148.11 43.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.62 -35.05 5.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -88.87 130.47 35.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.809 0.338 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' GLY . 95.1 t -80.46 113.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.6 pp -112.33 149.56 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.863 HG23 HD11 ' A' ' 81' ' ' LEU . 41.3 p -99.62 169.56 9.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.2 mt -142.14 109.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.6 t0 -90.58 106.0 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -67.16 -31.86 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 12' ' ' GLU . . . -58.89 -54.11 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p -93.92 -14.28 26.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.3 32.26 81.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.66 153.02 32.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 69' ' ' ILE . 30.4 mt -113.63 127.91 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 m -121.31 134.12 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -90.15 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.863 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -121.75 -46.92 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.71 -125.11 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.23 133.95 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.5 p -72.52 90.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.43 ' O ' ' CG ' ' A' ' 85' ' ' PHE . 17.8 p90 -61.4 120.5 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -151.02 174.04 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.71 145.93 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.31 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -117.92 135.41 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -96.04 -57.36 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.89 145.97 47.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.51 17.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -50.71 120.69 4.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.2 p -53.8 138.87 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m -39.26 107.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -76.23 103.06 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.58 -68.12 1.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -96.54 110.05 22.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -101.98 131.98 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.22 -110.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -117.52 143.7 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -86.62 98.42 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -133.37 128.67 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 12' ' ' GLU . 16.5 m -106.64 155.89 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' N ' HG22 ' A' ' 11' ' ' THR . 1.3 mp0 -86.65 35.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.2 mt -144.94 144.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.0 mt -144.15 128.66 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.741 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.55 138.46 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.651 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -155.63 162.13 30.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -82.03 106.63 14.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.622 HG11 HD11 ' A' ' 21' ' ' ILE . 97.1 t -46.59 108.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 t -93.47 -53.09 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.64 147.81 38.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 HG11 ' A' ' 18' ' ' VAL . 88.7 mt -134.04 105.62 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -103.86 140.77 37.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.37 109.79 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.58 ' HB2' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -73.43 107.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -81.31 144.14 53.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.46 7.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.4 m -141.33 152.41 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.11 150.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -100.97 145.86 28.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -157.87 -106.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.585 ' O ' HG13 ' A' ' 34' ' ' VAL . 75.1 m -146.22 121.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -44.95 138.75 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 32' ' ' SER . 8.0 m -138.06 154.04 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.89 168.34 36.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -129.94 144.83 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 39' ' ' LEU . 10.5 tp -138.59 141.58 39.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.626 ' O ' HD12 ' A' ' 39' ' ' LEU . 68.8 m -122.7 130.81 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.807 ' CD1' HD11 ' A' ' 37' ' ' LEU . 9.1 mp -131.65 128.36 38.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.48 115.35 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 43' ' ' GLU . 13.2 p -85.68 169.72 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -44.43 -20.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 41' ' ' THR . 13.0 mt-10 -113.91 -76.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -127.3 177.15 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -98.61 163.28 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.7 m -150.31 138.52 20.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.3 mt -82.87 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -120.62 116.81 26.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -62.18 114.57 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' A' ' 37' ' ' LEU . 52.0 mt -97.69 149.27 22.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.19 -118.0 3.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -109.94 -54.44 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -60.89 -39.38 89.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.7 mmt -54.47 -50.02 68.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.31 -44.46 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -44.52 -26.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -87.86 -41.43 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 78' ' ' ILE . 6.8 mt -66.09 -14.63 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 p -92.05 -44.87 8.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -43.94 94.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.1 m-20 -91.95 9.59 32.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 36.59 51.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 69' ' ' ILE . 60.4 t -62.24 143.85 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 21' ' ' ILE . 42.2 mt-30 -150.14 -179.49 7.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 138.86 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.36 -31.19 6.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.3 m-20 -98.04 130.99 44.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.866 0.365 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG21 ' HB3' ' A' ' 84' ' ' SER . 78.0 t -79.96 113.48 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.548 HG22 ' HG3' ' A' ' 80' ' ' LYS . 2.7 pp -111.0 161.51 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.787 HG23 HD11 ' A' ' 81' ' ' LEU . 15.5 p -112.67 169.42 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.27 107.69 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 76' ' ' GLY . 3.7 t0 -97.1 107.93 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -65.02 -39.84 94.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -36.12 -59.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -105.75 -19.2 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 82.86 28.99 36.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -100.01 153.35 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 58' ' ' LEU . 36.6 mt -122.89 117.17 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.2 m -106.64 153.23 22.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HG3' HG22 ' A' ' 69' ' ' ILE . 25.1 ttmt -103.1 138.68 39.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.787 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -119.79 159.17 25.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.79 -117.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -110.12 116.34 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.556 ' HB3' HG21 ' A' ' 68' ' ' VAL . 29.1 t -87.82 81.7 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 85' ' ' PHE . 11.2 p90 -141.5 112.12 7.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -102.04 152.69 20.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -106.68 103.68 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -170.2 119.54 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -71.62 156.86 38.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.5 t -140.37 158.41 44.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.75 -83.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -82.83 90.22 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t -42.69 106.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -162.98 152.2 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -113.34 -24.66 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.86 121.23 1.61 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.535 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 66.3 m -138.61 137.79 37.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 8.3 t -35.47 145.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.86 -168.17 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -87.4 -12.89 44.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LYS . 60.3 mm-40 35.26 45.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -109.43 46.66 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' GLU . 2.0 m 37.9 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -83.86 35.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -132.91 130.13 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.59 113.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.95 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -114.7 166.21 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.675 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -175.35 168.14 40.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -82.54 104.66 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.748 HG11 HD11 ' A' ' 21' ' ' ILE . 5.0 t -49.87 129.32 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.34 -47.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.29 138.17 29.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.748 HD11 HG11 ' A' ' 18' ' ' VAL . 90.1 mt -130.63 110.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -103.9 147.08 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mm -139.02 117.18 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.01 129.16 40.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -87.45 143.69 34.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.55 12.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.35 -179.64 4.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -71.32 -15.36 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.43 -89.4 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -155.71 141.73 18.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.66 130.4 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 158.89 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.988 0.423 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -78.23 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.5 138.37 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.05 146.04 17.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 tmmm? -111.38 120.91 43.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 HG12 ' A' ' 21' ' ' ILE . 3.1 tp -115.38 130.58 56.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.429 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 89.5 m -119.33 122.86 42.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.675 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.2 mp -113.47 147.37 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -99.44 100.01 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 42' ' ' THR . 4.1 p -92.14 169.56 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 41' ' ' THR . 1.4 t -33.31 109.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' THR . 9.9 mm-40 35.66 48.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.522 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -167.09 164.54 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -138.62 133.59 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -129.88 146.72 51.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 47' ' ' ILE . 3.4 mp -111.6 110.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HB2' HD23 ' A' ' 37' ' ' LEU . 83.5 m-85 -91.67 117.04 29.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -66.3 131.72 46.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.2 126.3 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.54 -124.0 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.8 m -114.01 -34.99 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -80.72 -43.36 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.4 mtt -53.62 -37.96 63.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . 61.3 mt -67.1 -52.71 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -39.73 -27.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m -85.69 -45.76 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 78' ' ' ILE . 6.6 mt -58.12 -11.75 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -93.45 -44.08 8.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -64.54 -23.37 67.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.702 ' CG ' HG23 ' A' ' 63' ' ' VAL . 12.5 p30 -106.28 0.37 25.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 46.6 42.72 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.702 HG23 ' CG ' ' A' ' 61' ' ' ASP . 92.8 t -55.9 146.18 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -154.05 175.87 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.79 140.3 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.92 -28.23 10.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.65 172.06 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.4 t -119.19 113.44 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.669 HG22 ' HG2' ' A' ' 80' ' ' LYS . 2.5 pp -112.71 154.59 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.95 HG22 ' HB3' ' A' ' 15' ' ' GLU . 28.2 p -107.34 166.31 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -135.98 112.11 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 t0 -96.4 105.95 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -68.11 -36.59 80.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.74 -53.9 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -107.84 -37.46 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 102.14 33.17 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -107.72 153.1 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 58' ' ' LEU . 19.6 mt -120.5 128.18 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.2 m -119.87 153.08 36.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.669 ' HG2' HG22 ' A' ' 69' ' ' ILE . 7.2 mtpm? -98.53 143.12 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.897 HD11 HG23 ' A' ' 70' ' ' THR . 2.9 mt -118.2 -51.28 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.37 -69.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -132.65 168.71 17.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.2 p -110.24 -59.22 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.6 t80 64.37 37.75 8.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.4 m -127.27 111.79 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -142.9 133.21 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.66 163.57 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.65 -46.38 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -164.47 130.25 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.6 145.95 5.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -40.23 5.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.0 m -43.26 -72.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -72.9 156.92 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -43.31 -49.08 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -76.17 96.25 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.57 103.39 2.96 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -152.21 161.32 42.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.893 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -84.03 94.54 8.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.9 174.41 26.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 pttt 42.14 25.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -133.25 98.81 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -133.08 145.71 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 p -38.33 129.22 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 13' ' ' ILE . 6.1 mp0 -82.34 43.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 72' ' ' ASP . 5.7 mm -144.77 133.67 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.466 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 1.7 mm -118.23 154.11 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -149.61 118.51 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.576 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -153.78 162.55 30.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 42.6 tt0 -83.14 103.98 12.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG11 HD11 ' A' ' 21' ' ' ILE . 19.9 t -36.91 106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -90.46 -52.62 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -146.98 147.31 30.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.688 HD11 HG11 ' A' ' 18' ' ' VAL . 77.2 mt -133.06 97.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -98.78 155.62 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -126.39 117.3 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.721 ' HB3' HG23 ' A' ' 34' ' ' VAL . 14.0 t0 -72.2 134.04 45.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -95.27 142.96 25.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.44 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.8 -57.95 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 t -46.28 -43.68 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' THR . . . 150.61 -39.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 25.5 p -36.39 120.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.44 -72.11 1.02 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -49.53 153.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 19.1 tptt -78.9 134.12 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.721 HG23 ' HB3' ' A' ' 24' ' ' ASP . 23.9 m -139.34 148.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 50' ' ' LEU . . . -143.02 166.86 26.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' NZ ' HG21 ' A' ' 47' ' ' ILE . 32.5 tttp -124.0 118.19 26.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.4 tp -116.03 145.15 43.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -126.81 124.93 40.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.621 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.1 mp -128.26 138.21 52.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CE ' ' OE2' ' A' ' 45' ' ' GLU . 28.5 ttmt -89.87 100.69 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 44' ' ' MET . 2.1 p -130.08 138.04 50.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m 62.42 49.72 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 52.19 24.94 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 41' ' ' THR . 5.1 ptt? -154.54 143.21 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' OE2' ' CE ' ' A' ' 40' ' ' LYS . 28.3 mt-10 -96.48 132.64 41.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.8 m -125.84 138.71 53.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 47' ' ' ILE . 4.0 mp -87.37 133.99 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.466 ' CZ ' HG21 ' A' ' 14' ' ' ILE . 95.9 m-85 -116.88 122.81 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -60.16 118.98 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 37' ' ' LEU . 70.3 mt -88.49 121.98 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.15 159.76 26.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 m -44.79 -30.87 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.86 -51.46 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.2 mtt -46.76 -50.79 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.49 ' O ' HG23 ' A' ' 59' ' ' THR . 92.6 mt -52.46 -53.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -41.92 -28.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t -80.99 -52.33 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -60.67 -11.16 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 55' ' ' ILE . 58.4 p -91.55 -47.9 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -55.14 -40.05 70.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.71 9.17 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? 38.02 39.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 80' ' ' LYS . 77.1 t -38.4 127.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -120.84 161.63 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.49 155.76 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.48 -28.29 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -84.1 165.71 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -114.82 112.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.5 pp -115.21 149.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.7 p -102.86 166.67 10.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.34 108.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.3 t0 -91.62 105.16 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -68.18 -38.53 82.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.14 -57.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 t -108.0 -14.27 14.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 79.65 30.87 42.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -101.98 155.62 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 41.7 mt -121.83 123.23 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.7 m -110.75 153.14 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD2' HG22 ' A' ' 63' ' ' VAL . 13.3 tttm -107.38 138.7 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt -116.41 -51.33 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 121.24 164.59 12.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 27.2 ttt85 -34.71 149.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 t -83.13 95.25 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -93.01 126.83 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -158.6 146.43 18.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 5.5 mmm180 -73.0 147.63 44.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.66 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -86.57 115.53 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -40.84 -52.07 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.47 146.02 18.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 144.45 54.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.739 2.292 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t 60.8 44.65 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 m -99.17 119.67 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.457 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -115.09 177.32 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -126.46 -44.82 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.2 101.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -125.2 104.33 8.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -96.51 167.77 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 -82.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -146.91 148.3 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.55 130.65 20.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.07 146.59 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.7 p -121.58 112.45 18.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.57 39.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.1 mt -143.99 140.87 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -137.5 120.5 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.828 ' HB2' HG22 ' A' ' 70' ' ' THR . 26.2 tt0 -113.37 123.29 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -145.08 165.98 27.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.62 108.61 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 21' ' ' ILE . 11.9 t -42.3 107.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.539 HG11 ' OE1' ' A' ' 45' ' ' GLU . 60.1 t -90.46 -46.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -152.94 152.32 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 18' ' ' VAL . 52.5 mt -140.6 109.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -114.33 153.98 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.489 HD13 ' HA3' ' A' ' 35' ' ' GLY . 31.8 mm -127.73 109.01 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.9 t70 -75.31 104.57 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -97.14 136.85 21.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.17 34.81 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 106.31 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 28' ' ' THR . 18.5 m 55.37 41.11 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.75 116.21 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.9 m -79.85 108.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.354 . . . . 0.0 111.106 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.66 179.6 40.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.6 p -46.65 164.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.935 0.398 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -119.84 143.91 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 4.1 m -132.65 147.92 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -137.79 150.9 21.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -105.37 121.73 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.958 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.5 tp -113.92 145.89 40.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' HD12 ' A' ' 39' ' ' LEU . 87.4 m -130.31 122.91 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 16' ' ' GLY . 8.6 mp -122.3 139.16 54.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -89.77 100.92 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 44' ' ' MET . 47.7 p -122.37 147.68 45.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 42' ' ' THR . 25.6 m 47.51 47.17 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 56.47 25.04 9.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 41' ' ' THR . 7.8 ptt? -149.16 136.87 20.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' OE1' HG11 ' A' ' 19' ' ' VAL . 14.9 mt-10 -92.34 132.9 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.2 m -127.41 138.7 53.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.86 144.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 118.37 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.67 117.98 7.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.958 HD11 ' HB2' ' A' ' 37' ' ' LEU . 63.4 mt -97.13 120.21 37.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' THR . . . -86.92 162.49 34.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.524 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' GLY . 92.8 m -36.62 -61.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.2 pttp -51.57 -58.94 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' LYS . 11.2 mtt -37.44 -48.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' SER . 94.8 mt -57.74 -49.72 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -39.68 -29.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.0 t -79.71 -49.9 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 78' ' ' ILE . 6.4 mt -55.58 -13.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 p -91.91 -50.1 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -48.14 -43.45 31.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 8.2 t0 -101.12 -1.56 33.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt 51.62 44.73 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 69' ' ' ILE . 77.9 t -50.71 138.2 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -136.79 178.63 6.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.83 147.98 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.35 -18.79 55.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.4 m-20 -96.29 170.69 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.92 113.74 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.573 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.1 pp -118.67 168.31 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 15' ' ' GLU . 70.5 p -121.13 170.75 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' CD2' ' A' ' 37' ' ' LEU . 20.4 mt -142.93 109.58 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.9 t70 -89.29 106.45 18.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -70.28 -29.98 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.68 -48.24 77.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -98.71 -13.19 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 66.36 27.11 72.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -113.73 153.0 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 70' ' ' THR . 19.9 mt -114.05 133.46 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -122.56 150.46 42.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' CE ' ' OD2' ' A' ' 67' ' ' ASP . 83.9 tttt -105.97 136.45 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.6 HD11 ' CG2' ' A' ' 70' ' ' THR . 1.9 mt -112.3 -48.93 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 112.95 177.74 19.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' GLY . 17.1 tpt180 -37.84 118.62 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 t -54.06 148.46 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -70.2 -60.08 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.3 m -58.56 131.49 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -104.72 123.63 47.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.4 94.73 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.8 ttt85 -94.23 81.23 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.2 m -109.64 170.45 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.79 -162.36 31.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 87.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -131.33 99.88 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -85.93 131.09 34.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -107.73 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -119.9 121.07 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.58 -174.66 14.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -99.7 160.75 14.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -122.47 145.21 48.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.28 138.87 14.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -52.05 -47.32 65.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -109.38 44.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -143.39 122.62 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.1 p -88.93 -7.04 56.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 61.07 42.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -144.79 140.36 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -132.51 121.24 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.857 ' HB2' HG22 ' A' ' 70' ' ' THR . 24.5 tt0 -115.18 143.19 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.606 ' N ' HD23 ' A' ' 39' ' ' LEU . . . -162.14 174.79 38.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -89.84 105.6 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 67' ' ' ASP . 50.7 t -39.34 105.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG21 ' CD ' ' A' ' 45' ' ' GLU . 83.9 t -90.81 -55.02 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -142.61 143.2 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HG11 ' A' ' 18' ' ' VAL . 81.8 mt -129.11 95.17 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.34 142.21 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -134.54 132.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 34' ' ' VAL . 9.7 t70 -95.15 130.18 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -98.68 149.33 35.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.711 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CB ' ' HA ' ' A' ' 30' ' ' THR . 53.7 Cg_endo -69.75 -9.61 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.41 -55.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -94.32 -55.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.39 73.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.411 ' HA ' ' CB ' ' A' ' 26' ' ' PRO . 9.0 t -68.5 148.28 50.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.98 -106.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 34' ' ' VAL . 89.4 p -92.63 119.1 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.847 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -57.02 139.73 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 24' ' ' ASP . 25.9 m -145.52 140.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 162.25 29.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.517 ' HD2' HG22 ' A' ' 47' ' ' ILE . 1.2 tppp? -120.9 150.19 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD11 ' CD1' ' A' ' 39' ' ' LEU . 11.6 tp -137.82 145.83 42.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 39' ' ' LEU . 58.1 m -127.74 127.94 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 16' ' ' GLY . 7.5 mp -131.41 129.25 41.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' CA ' ' HG3' ' A' ' 45' ' ' GLU . 32.4 ttpt -94.84 101.39 13.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 44' ' ' MET . 7.9 t -132.53 152.57 51.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 m 45.74 54.99 7.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 45.92 25.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' THR . 2.3 ttp -145.17 121.42 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' CD ' HG21 ' A' ' 19' ' ' VAL . 15.4 tt0 -99.69 114.42 27.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 m -105.84 149.77 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.517 HG22 ' HD2' ' A' ' 36' ' ' LYS . 65.6 mt -102.12 104.26 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CD2' ' CD1' ' A' ' 71' ' ' ILE . 9.7 m-85 -83.77 131.2 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.9 136.27 33.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -108.2 172.81 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -137.82 -102.64 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.7 m -124.96 -47.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -39.87 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 mtt -61.61 -47.12 86.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 51' ' ' GLY . 95.3 mt -64.53 -45.05 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.62 -28.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.6 m -83.59 -47.2 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.775 HD21 HG21 ' A' ' 78' ' ' ILE . 8.6 mt -55.9 -13.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -90.3 -41.62 11.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -57.28 -49.58 75.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.43 -0.69 57.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 mttt 47.57 49.88 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.81 150.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -153.93 166.88 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.05 142.76 57.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.99 -29.51 11.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.2 m-20 -94.05 156.35 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 16' ' ' GLY . 86.3 t -103.4 115.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.657 HG22 ' HA ' ' A' ' 80' ' ' LYS . 2.3 pp -115.2 142.74 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.875 HG23 HD11 ' A' ' 81' ' ' LEU . 17.5 p -95.46 166.67 11.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 48' ' ' TYR . 22.1 mt -141.37 109.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -88.17 106.8 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -65.4 -38.05 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.21 85.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.1 p -90.89 -12.11 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 56.7 36.45 71.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -122.46 158.05 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.775 HG21 HD21 ' A' ' 58' ' ' LEU . 60.2 mt -118.12 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.6 m -113.63 138.52 50.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.657 ' HA ' HG22 ' A' ' 69' ' ' ILE . 1.4 ttpm? -95.7 137.82 34.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 HG23 ' A' ' 70' ' ' THR . 5.2 mt -119.28 178.83 4.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.959 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.06 -87.81 1.07 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -132.55 126.83 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.494 ' OG ' HG11 ' A' ' 68' ' ' VAL . 2.1 m -62.52 164.29 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -49.29 -43.79 43.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -60.43 168.43 2.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -73.36 94.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.72 162.21 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -37.44 135.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.3 p -155.69 129.13 8.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.56 173.01 45.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -3.48 12.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.352 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -44.56 144.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 p -61.42 176.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -107.13 43.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 p -129.62 168.74 16.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.52 57.64 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -85.46 158.04 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 140.82 49.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.11 42.51 5.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -48.21 -42.4 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -51.68 151.27 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -156.59 -179.58 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p -84.56 179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 61.69 32.94 18.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -144.38 140.54 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.63 133.91 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 70' ' ' THR . 77.5 tt0 -114.33 146.28 40.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.562 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -168.49 159.85 33.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -80.76 109.69 15.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 21' ' ' ILE . 50.0 t -51.86 124.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 40' ' ' LYS . 92.4 t -108.82 -47.53 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -144.1 137.56 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 18' ' ' VAL . 66.8 mt -128.84 96.22 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -89.93 139.99 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.37 97.39 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.49 115.67 16.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -71.39 143.93 88.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 156.38 63.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 0.0 112.393 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.63 28.8 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -151.5 166.88 29.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.16 65.68 3.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 m -147.92 137.82 22.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 111.097 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.13 46.25 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -112.74 110.25 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -107.3 160.15 15.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -149.06 154.25 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.57 169.68 37.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CE ' HG21 ' A' ' 47' ' ' ILE . 11.0 mtpt -129.65 119.14 23.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' HD11 ' A' ' 50' ' ' LEU . 3.0 tp -111.41 139.23 47.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -128.22 122.18 31.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD23 ' CA ' ' A' ' 16' ' ' GLY . 7.7 mp -114.03 138.18 50.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 19' ' ' VAL . 34.7 ttmt -90.16 100.58 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' MET . 40.6 p -92.25 170.08 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' GLU . 95.5 m -38.71 114.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' THR . 4.6 mp0 33.42 40.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -164.32 144.46 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -116.83 137.99 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.4 m -121.27 151.89 39.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.521 HG21 ' CE ' ' A' ' 36' ' ' LYS . 5.3 mp -123.41 104.52 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -92.61 138.74 31.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.28 120.26 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 37' ' ' LEU . 56.0 mt -89.12 156.08 19.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.8 -127.89 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 m -101.66 -40.98 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 111.161 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -75.28 -44.49 45.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -53.81 -43.45 69.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 58' ' ' LEU . 83.0 mt -62.67 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.75 -28.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.4 m -84.94 -37.86 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.6 mt -71.8 -21.99 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -90.67 -48.77 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -29.76 17.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -112.55 -11.69 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mptt 63.75 38.55 9.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.572 HG11 HG21 ' A' ' 69' ' ' ILE . 98.5 t -46.76 138.2 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -141.09 163.68 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.83 138.93 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.24 -36.03 4.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -91.37 132.94 35.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.402 HG11 ' OE2' ' A' ' 15' ' ' GLU . 81.2 t -79.98 112.93 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.572 HG21 HG11 ' A' ' 63' ' ' VAL . 2.7 pp -109.61 155.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 78' ' ' ILE . 24.5 p -106.32 164.91 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -135.59 109.58 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -92.19 105.22 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -70.78 -33.22 70.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.12 -53.52 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -107.5 -23.92 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.69 27.29 20.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -108.71 154.93 21.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 70' ' ' THR . 32.8 mt -116.18 138.25 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.7 m -124.92 132.75 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -90.24 138.29 31.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt -115.21 -57.59 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.27 152.43 6.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 ttt-85 -39.09 119.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -105.77 98.43 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -88.47 176.77 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.9 t -174.04 163.46 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -43.18 157.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.28 150.67 29.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -98.43 87.74 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -57.17 119.87 7.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.97 -179.09 28.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 95.96 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 2.242 . . . . 0.0 112.297 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 m -53.23 163.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -53.21 108.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.534 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 61.9 p 37.59 42.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -118.83 105.62 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.49 120.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -133.95 42.93 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -107.5 -56.42 2.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.04 40.29 0.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 84.89 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -137.13 118.68 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.43 168.49 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -92.09 -14.6 28.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 63.28 35.87 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -144.95 139.17 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG21 ' OH ' ' A' ' 48' ' ' TYR . 2.5 mt -136.39 125.57 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.98 144.08 43.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -165.03 164.52 37.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -81.1 118.03 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 67' ' ' ASP . 34.1 t -60.13 124.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG21 ' HB2' ' A' ' 40' ' ' LYS . 86.4 t -111.96 -49.99 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -142.25 142.22 32.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 18' ' ' VAL . 96.7 mt -134.05 97.03 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.34 138.4 35.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mm -138.34 114.15 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -72.49 128.92 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -103.39 147.28 33.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 133.13 24.76 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.36 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.8 -58.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 29' ' ' GLY . 9.5 t -108.53 -41.81 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' HG23 ' A' ' 28' ' ' THR . . . 145.43 111.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -115.15 -58.95 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.23 -75.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.0 m -107.05 149.48 27.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -74.84 140.19 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.46 145.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.7 158.3 28.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.55 ' HE2' HG21 ' A' ' 47' ' ' ILE . 6.4 tptm -119.24 148.73 42.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' A' ' 21' ' ' ILE . 3.1 tp -137.68 135.27 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 ' CG2' ' CD ' ' A' ' 45' ' ' GLU . 85.7 m -122.39 123.42 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.3 mp -113.7 134.1 54.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.506 ' HB2' HG21 ' A' ' 19' ' ' VAL . 5.5 ttpm? -89.84 99.94 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.7 OUTLIER -91.04 169.67 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 43' ' ' GLU . 91.1 m -38.7 113.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' THR . 2.6 mm-40 33.9 40.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.7 ttp -167.08 141.41 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 4.4 tt0 -120.22 134.69 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -126.71 153.13 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 36' ' ' LYS . 22.4 mt -113.61 140.16 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' OH ' HG21 ' A' ' 14' ' ' ILE . 91.7 m-85 -121.97 139.86 53.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.0 143.46 26.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.29 129.05 50.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.62 -121.17 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -108.26 -44.52 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.169 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -74.0 -37.25 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.0 mtt -60.65 -33.15 72.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.17 -40.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -53.83 -20.97 6.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 -45.79 12.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.882 HD21 HG21 ' A' ' 78' ' ' ILE . 4.3 mt -57.55 -28.43 63.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.7 p -79.04 -46.83 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -49.4 -53.23 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.69 0.96 55.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 50.93 40.4 25.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' HG21 ' A' ' 69' ' ' ILE . 74.7 t -46.38 129.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -129.98 164.25 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.49 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.8 -39.69 2.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.1 m-20 -82.86 143.37 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.81 112.58 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.554 HD13 HG23 ' A' ' 78' ' ' ILE . 2.1 pp -111.8 145.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.768 HG22 ' HB2' ' A' ' 15' ' ' GLU . 14.5 p -98.61 163.48 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mt -135.86 106.92 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t0 -83.28 107.45 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -75.11 -35.47 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.11 71.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 p -113.56 -10.39 13.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.94 41.65 99.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -120.62 158.21 27.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.882 HG21 HD21 ' A' ' 58' ' ' LEU . 84.0 mt -124.02 115.75 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -109.52 151.93 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 69' ' ' ILE . 17.0 ttpp -109.31 139.99 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -125.02 159.2 31.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -51.57 -91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -157.37 123.65 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 m -100.11 88.56 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -100.54 -56.34 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.7 t -70.14 140.5 52.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 54.74 52.04 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.48 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -55.05 141.84 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 p -154.86 164.63 38.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.42 156.58 31.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.3 22.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.1 p 40.61 42.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -82.08 144.67 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.9 p -102.89 120.04 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -143.32 159.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.56 -73.37 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -51.26 136.62 24.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -57.82 140.22 52.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.09 38.5 0.74 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -129.92 159.56 36.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -114.54 169.5 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 11.9 pt-20 34.57 55.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -98.04 144.31 27.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -92.89 33.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.523 HD12 ' CG ' ' A' ' 72' ' ' ASP . 3.1 mm -137.65 128.06 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' ILE . 0.4 OUTLIER -122.72 135.09 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.3 tt0 -125.47 138.63 54.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.784 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -162.25 170.21 37.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.1 tt0 -87.6 103.63 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 21' ' ' ILE . 25.2 t -41.72 125.53 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 40' ' ' LYS . 78.7 t -114.93 -50.52 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.61 134.67 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 18' ' ' VAL . 62.8 mt -126.78 95.01 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.532 ' O ' HD13 ' A' ' 23' ' ' ILE . 53.2 mt-30 -82.2 139.31 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' GLN . 50.5 mm -134.94 100.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' HB2' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -71.47 128.71 36.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -87.85 143.86 34.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.45 40.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.26 -61.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -66.13 155.22 37.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.54 -86.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.415 ' H ' HG22 ' A' ' 30' ' ' THR . 1.5 t -71.25 69.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.39 146.84 18.16 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.9 m -114.04 145.68 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.596 ' HG2' HD12 ' A' ' 55' ' ' ILE . 29.4 tptt -69.26 134.01 48.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.456 HG23 ' HB2' ' A' ' 24' ' ' ASP . 4.2 m -149.14 147.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.21 170.55 37.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -127.47 142.11 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' CD2' HD11 ' A' ' 71' ' ' ILE . 6.1 tp -125.33 132.51 52.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 47' ' ' ILE . 76.3 m -118.55 126.36 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.784 HD23 ' CA ' ' A' ' 16' ' ' GLY . 9.7 mp -120.56 137.55 54.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HB2' HG21 ' A' ' 19' ' ' VAL . 28.3 ttpt -89.95 101.95 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' THR . 30.9 p -94.48 169.49 10.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.5 m -34.62 108.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' THR . 6.8 mp0 37.93 46.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.539 ' CG ' ' N ' ' A' ' 45' ' ' GLU . 1.8 ttt -167.12 165.58 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 44' ' ' MET . 3.8 tt0 -134.0 112.65 11.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.529 ' O ' HD13 ' A' ' 47' ' ' ILE . 26.4 m -99.01 152.69 19.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 38' ' ' THR . 23.6 mm -124.12 138.22 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' HE2' HD22 ' A' ' 39' ' ' LEU . 20.3 m-85 -126.51 138.68 53.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -89.94 132.38 35.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.29 137.08 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.86 -106.37 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -119.93 -29.76 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -85.07 -46.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -49.64 -37.98 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.596 HD12 ' HG2' ' A' ' 33' ' ' LYS . 88.4 mt -68.69 -50.55 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.04 -31.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 m -78.12 -49.96 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 78' ' ' ILE . 8.0 mt -64.62 -11.62 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -93.52 -50.07 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.3 ptmt -53.94 -30.72 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 60' ' ' LYS . 2.7 t70 -114.26 7.31 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm 42.3 35.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 69' ' ' ILE . 69.7 t -40.01 123.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -118.89 166.02 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.97 135.48 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.87 -35.36 3.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.35 168.15 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.7 t -113.94 104.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.546 HD13 ' CG2' ' A' ' 78' ' ' ILE . 1.7 pp -114.28 145.94 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.808 HG23 HD11 ' A' ' 81' ' ' LEU . 81.2 p -100.07 173.08 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 37' ' ' LEU . 77.9 mt -140.67 109.49 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CG ' HD12 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -88.14 103.51 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -62.52 -37.96 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.97 -52.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 77' ' ' LYS . 14.4 t -123.18 8.04 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 60.11 31.63 73.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 75' ' ' THR . 12.6 mttm -97.33 144.54 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.546 ' CG2' HD13 ' A' ' 69' ' ' ILE . 91.4 mt -111.13 132.86 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -124.59 142.79 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HG3' HG22 ' A' ' 69' ' ' ILE . 2.9 ttpm? -94.7 140.74 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 70' ' ' THR . 2.0 mt -120.06 -47.12 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.85 169.05 14.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -41.8 151.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -80.76 106.49 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -94.47 149.24 21.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -154.14 143.34 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -102.86 97.83 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -158.21 150.38 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -139.79 118.97 12.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -77.18 -49.01 16.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.2 -160.8 22.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 83.81 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -95.38 97.37 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t 39.89 53.88 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -163.21 162.36 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -143.3 166.08 25.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.09 126.45 2.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -127.67 92.3 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -67.63 141.51 56.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.99 152.33 8.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -82.1 -61.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.73 142.14 49.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -106.64 134.83 49.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.2 p -78.17 120.26 22.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -122.41 26.03 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -139.39 148.65 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -147.34 125.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.4 138.15 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.572 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -157.59 165.15 33.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -80.72 104.1 11.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 21' ' ' ILE . 48.4 t -40.93 103.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.73 -52.14 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -153.17 146.21 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.509 HD11 HG11 ' A' ' 18' ' ' VAL . 55.1 mt -127.41 95.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -91.58 149.0 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.475 HD13 ' HA3' ' A' ' 35' ' ' GLY . 47.0 mm -134.15 106.8 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.414 ' HB2' HG23 ' A' ' 34' ' ' VAL . 22.1 m-20 -80.94 123.62 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -81.98 147.7 58.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.721 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.05 40.99 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t 38.89 37.44 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.28 -101.71 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 30' ' ' THR . 10.1 t -124.47 120.78 33.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.142 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.32 -156.69 25.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.554 ' O ' HG13 ' A' ' 34' ' ' VAL . 49.1 m -151.17 152.23 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 110.833 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.96 138.89 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 32' ' ' SER . 24.4 m -145.0 138.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 23' ' ' ILE . . . -155.36 145.9 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 27.2 mmtm -103.73 135.85 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 39' ' ' LEU . 4.9 tp -121.92 150.06 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 39' ' ' LEU . 41.2 m -131.04 129.63 42.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 38' ' ' THR . 7.4 mp -135.59 126.47 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -94.29 99.83 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 t -126.18 146.78 49.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 42' ' ' THR . 17.4 m 49.41 54.95 10.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 46.29 26.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 ttt -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' CD ' ' CG2' ' A' ' 38' ' ' THR . 6.1 tt0 -98.82 132.77 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -123.44 137.96 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.443 ' CG2' ' HD2' ' A' ' 36' ' ' LYS . 61.8 mt -90.13 103.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.88 147.98 24.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.41 146.3 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 37' ' ' LEU . 25.2 mt -120.44 151.42 39.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.69 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -117.56 -128.78 4.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 m -99.23 -51.6 3.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.86 -48.98 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 mtt -53.35 -53.4 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 51' ' ' GLY . 94.6 mt -59.97 -55.72 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -41.89 -24.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ILE . 22.9 t -83.33 -47.47 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . 10.8 mt -58.85 -10.8 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -93.02 -36.97 12.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -69.07 -32.38 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' CG ' HG23 ' A' ' 63' ' ' VAL . 1.6 p30 -94.74 -14.98 24.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.96 42.16 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 61' ' ' ASP . 98.0 t -59.33 140.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -143.51 163.21 33.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.39 136.31 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.41 -31.94 5.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.7 166.09 13.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.88 112.32 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.713 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.3 pp -114.24 149.97 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.992 HG23 HD11 ' A' ' 81' ' ' LEU . 46.3 p -98.27 173.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -144.13 106.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' OD2' ' HB3' ' A' ' 74' ' ' ALA . 1.5 t70 -92.56 107.13 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ALA . 25.4 mttm -68.11 -39.95 82.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LYS . . . -34.64 -54.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 t -112.07 -29.83 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 100.02 30.37 6.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -97.11 158.02 15.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 70' ' ' THR . 20.3 mt -132.79 118.54 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.8 m -108.13 153.98 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 69' ' ' ILE . 30.1 tttt -99.24 142.98 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.992 HD11 HG23 ' A' ' 70' ' ' THR . 4.1 mt -124.74 172.6 9.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' SER . . . -44.46 140.82 3.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.41 -32.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 82' ' ' GLY . 9.0 m -171.58 140.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -88.54 90.68 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -144.45 155.31 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -122.52 45.63 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.09 164.38 13.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -129.17 142.94 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -167.51 145.48 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.02 -100.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.31 5.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 m -116.73 -59.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.3 p -49.65 -54.52 18.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -60.15 122.33 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -153.34 106.5 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.94 148.91 18.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -106.21 105.32 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -173.96 115.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.02 89.02 1.05 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -45.5 106.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.23 128.44 36.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.18 121.8 31.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 p -84.33 -12.93 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 61.1 39.74 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.7 mt -144.8 140.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.405 HG21 ' OH ' ' A' ' 48' ' ' TYR . 3.2 mt -142.76 119.87 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.976 ' HB2' HG22 ' A' ' 70' ' ' THR . 28.7 tt0 -107.53 152.39 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.517 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -170.84 167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -81.12 116.92 21.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.871 HG11 HD11 ' A' ' 21' ' ' ILE . 44.0 t -57.53 107.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 40' ' ' LYS . 73.6 t -95.2 -54.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -138.36 142.12 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.871 HD11 HG11 ' A' ' 18' ' ' VAL . 74.8 mt -131.53 95.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -82.1 134.49 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.8 mm -131.97 128.28 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -92.79 125.63 37.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.09 148.95 42.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' CB ' ' HA ' ' A' ' 30' ' ' THR . 53.6 Cg_endo -69.78 91.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.56 -46.61 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 28' ' ' THR . 20.3 m -98.66 37.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.77 85.06 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.403 ' HA ' ' CB ' ' A' ' 26' ' ' PRO . 93.9 m -53.89 120.92 6.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 0.0 111.177 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.5 -137.25 4.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.0 t -45.57 116.81 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -85.29 147.28 26.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.72 142.91 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.77 170.79 34.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -124.46 158.16 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' CD2' HD11 ' A' ' 71' ' ' ILE . 2.7 tp -141.49 129.35 21.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.7 m -113.76 121.59 44.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.517 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.7 mp -114.47 129.93 56.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.596 ' HB2' HG21 ' A' ' 19' ' ' VAL . 26.7 ttmt -89.83 101.53 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' THR . 59.1 p -94.74 170.17 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 43' ' ' GLU . 89.7 m -33.56 108.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . 11.6 mt-10 33.42 46.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' THR . 2.3 ttt -167.72 133.94 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -114.53 149.91 35.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -148.72 145.68 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.24 121.38 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' OH ' HG21 ' A' ' 14' ' ' ILE . 61.9 m-85 -99.1 143.17 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.01 133.28 34.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.79 141.44 46.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.15 -122.16 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.3 m -114.7 -20.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -41.47 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.45 -32.03 69.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.98 -39.94 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.34 -26.45 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.9 t -79.15 -56.68 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 78' ' ' ILE . 5.5 mt -51.65 -17.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 -39.98 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -67.6 -20.4 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.725 ' CG ' HG23 ' A' ' 63' ' ' VAL . 5.7 p30 -107.6 -13.42 15.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.7 33.13 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.725 HG23 ' CG ' ' A' ' 61' ' ' ASP . 91.1 t -51.84 141.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -138.08 161.26 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.2 138.34 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.48 23.84 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.8 t70 -90.22 166.41 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' ' 84' ' ' SER . 70.2 t -109.88 104.81 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -113.57 144.16 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.991 HG23 HD11 ' A' ' 81' ' ' LEU . 40.9 p -94.99 173.06 7.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 37' ' ' LEU . 72.0 mt -143.79 107.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' GLY . 1.1 m-20 -90.29 106.71 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.96 -38.93 83.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.47 -60.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -104.1 -19.7 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . 85.0 31.78 22.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -103.55 158.09 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 58' ' ' LEU . 28.4 mt -124.77 138.62 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -128.48 153.76 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.465 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.6 ttpt -101.12 140.13 35.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.991 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt -122.97 145.97 48.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.7 172.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -58.32 126.75 28.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.506 ' HB3' HG21 ' A' ' 68' ' ' VAL . 34.5 t -132.83 85.17 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -48.91 145.56 3.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -78.82 172.82 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -86.67 105.44 16.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.7 99.06 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -116.73 174.65 5.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.4 p -99.36 136.5 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.5 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -30.45 22.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.5 m -105.5 140.77 38.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -60.74 -47.32 86.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.502 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -151.7 161.19 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -96.83 177.41 5.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.72 -158.71 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -111.83 113.52 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -148.54 106.33 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.92 -160.91 34.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -54.82 -62.53 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -109.91 74.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -154.58 113.85 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 p -125.19 121.84 35.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.82 36.04 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.1 mt -144.96 142.39 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -140.92 119.91 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.785 ' HB2' HG22 ' A' ' 70' ' ' THR . 8.5 tt0 -109.55 125.2 52.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -144.3 169.23 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' VAL . 34.6 tt0 -86.98 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.932 0.396 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' ASP . 45.0 t -36.92 102.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.8 t -86.2 -55.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -148.61 141.35 24.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 18' ' ' VAL . 79.7 mt -123.71 95.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.21 149.15 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mm -121.61 110.35 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.77 101.35 7.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -53.59 147.43 21.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.684 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 99.08 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.4 -40.41 23.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 t -143.55 146.2 33.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.51 164.31 12.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.5 m -123.08 107.1 11.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.15 65.83 1.76 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 53.8 p -161.25 165.3 29.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.863 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 32' ' ' SER . 53.1 mttt -163.62 141.75 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.2 148.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.05 162.91 29.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -112.13 142.39 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.839 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -131.89 137.11 47.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.0 m -119.27 125.94 50.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 16' ' ' GLY . 6.8 mp -128.39 138.99 52.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 30.3 ttpt -89.47 103.46 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 44' ' ' MET . 16.9 p -127.8 144.71 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 42' ' ' THR . 25.4 m 47.09 48.94 15.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 53.75 25.12 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' THR . 7.8 ptt? -147.8 133.58 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' CD ' ' HG3' ' A' ' 40' ' ' LYS . 5.9 mp0 -92.75 128.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.5 m -122.16 134.38 54.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mt -82.99 143.12 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.68 148.18 48.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.92 108.21 19.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 37' ' ' LEU . 35.9 mt -88.2 120.72 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 179.4 34.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.2 m -52.93 -49.95 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -62.26 -44.05 97.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.0 mtt -54.78 -49.35 71.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 77.9 mt -57.86 -51.61 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -42.01 -25.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.9 m -86.08 -40.06 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.7 mt -61.52 -11.34 10.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.8 p -89.94 -53.41 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -47.95 -46.72 32.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.0 m-20 -102.33 13.36 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 61' ' ' ASP . 9.3 mtpm? 32.33 51.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.644 ' CG1' HG21 ' A' ' 69' ' ' ILE . 73.2 t -52.13 123.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -132.03 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 142.86 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.068 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.52 -31.21 8.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.7 m-20 -93.85 159.98 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.9 t -105.28 112.99 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.644 HG21 ' CG1' ' A' ' 63' ' ' VAL . 2.7 pp -115.08 144.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.785 HG22 ' HB2' ' A' ' 15' ' ' GLU . 77.9 p -99.7 164.38 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.69 106.93 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 74' ' ' ALA . 3.0 t70 -88.23 107.98 19.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -72.5 -32.19 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . . . -51.41 -48.41 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.94 -32.1 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.8 29.27 10.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -116.46 158.09 24.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.298 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 70' ' ' THR . 30.2 mt -117.04 126.5 74.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 150.18 28.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.433 ' C ' HD23 ' A' ' 81' ' ' LEU . 44.7 tttm -106.8 140.05 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 70' ' ' THR . 5.3 mt -121.6 178.3 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.33 -92.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -134.93 121.83 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 m -104.62 119.4 38.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -84.3 143.85 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.9 m -77.97 137.12 38.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -94.6 136.68 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.44 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.76 156.43 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.8 p -135.36 124.04 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -100.54 160.22 19.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.06 18.65 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.0 p -124.75 132.55 53.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -130.75 131.17 44.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -119.8 135.05 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p -75.72 -49.87 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.7 131.9 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -103.8 144.38 31.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -55.69 117.15 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.71 46.88 1.03 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -113.62 34.18 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.314 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 11' ' ' THR . 42.8 mt-10 -138.8 126.24 21.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -44.56 110.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 9' ' ' GLU . 17.9 p -130.62 174.98 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 61.78 30.57 18.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.7 145.96 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 48' ' ' TYR . 2.4 mt -142.15 128.13 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.799 ' HB2' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -168.47 159.63 32.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -80.62 106.43 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 21' ' ' ILE . 3.3 t -43.03 124.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 95.2 t -109.58 -48.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -149.09 141.26 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.691 HD11 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -133.78 119.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.0 tt0 -123.06 146.43 47.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 22' ' ' GLN . 2.7 mp -139.82 137.89 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.03 106.27 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -48.89 152.15 1.92 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.54 0.92 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.44 41.04 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -118.86 -21.81 7.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.44 41.9 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m 56.56 44.29 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.89 134.87 7.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -52.36 179.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.966 0.412 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -65.34 137.58 57.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.15 131.24 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.88 23.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -114.69 125.29 53.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HD21 ' A' ' 50' ' ' LEU . 3.1 tp -118.17 134.26 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -120.67 124.21 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 mp -116.38 139.57 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 40.6 tttt -90.52 106.33 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' THR . 24.2 p -100.37 169.66 8.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 43' ' ' GLU . 27.7 m -34.32 111.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 42' ' ' THR . 21.0 mt-10 33.04 46.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 20.4 ttp -167.16 153.78 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -126.57 118.32 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 m -106.59 148.99 27.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.76 113.85 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HE2' HD12 ' A' ' 14' ' ' ILE . 21.8 m-85 -93.58 151.03 19.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -100.69 120.56 40.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD21 ' HB3' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -101.72 138.49 38.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.23 -103.38 2.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -119.08 -62.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -49.88 -44.35 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.483 ' SD ' HD11 ' A' ' 78' ' ' ILE . 26.2 mtt -53.21 -50.77 64.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.42 -43.64 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.85 -26.91 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.1 t -86.47 -45.13 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -22.73 51.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.2 p -83.96 -49.65 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -48.98 -36.95 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -105.24 -9.65 17.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt 61.6 34.08 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.0 t -40.82 129.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -131.1 173.24 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.42 132.01 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.98 -29.57 5.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.6 m-20 -88.07 171.95 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.86 113.7 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.677 HD13 ' CG2' ' A' ' 78' ' ' ILE . 2.6 pp -118.52 149.01 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.866 HG23 HD11 ' A' ' 81' ' ' LEU . 15.4 p -98.43 161.79 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 48' ' ' TYR . 68.6 mt -131.04 112.08 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.54 106.19 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -71.5 -36.71 71.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -38.6 -40.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -122.95 -38.04 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.15 4.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -105.55 151.28 24.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 70' ' ' THR . 19.6 mt -119.46 122.47 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -107.23 154.01 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.589 ' HG3' HG22 ' A' ' 69' ' ' ILE . 13.1 tttm -105.07 136.58 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.866 HD11 HG23 ' A' ' 70' ' ' THR . 1.8 mt -114.13 158.69 20.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.39 150.43 49.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -38.45 144.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -42.84 99.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -40.96 156.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' THR . 12.6 t -144.51 128.5 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -144.12 129.98 19.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.18 158.04 19.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -111.39 -61.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.6 m -112.72 110.13 20.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 128.16 82.76 0.37 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -176.69 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -125.24 166.07 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.7 m -58.79 102.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 40.74 42.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -101.5 160.72 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.17 153.19 10.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -170.43 146.78 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -50.81 177.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.41 38.98 2.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -126.98 127.81 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -106.91 79.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.87 132.42 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 p -125.68 148.54 48.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.2 37.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' CG ' ' A' ' 72' ' ' ASP . 3.2 mm -134.5 146.03 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 73' ' ' LYS . 1.9 mt -147.99 129.07 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' HG22 ' A' ' 70' ' ' THR . 30.5 tt0 -115.86 129.93 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' HA3' HD23 ' A' ' 39' ' ' LEU . . . -149.69 159.84 28.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -80.69 104.44 11.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 21' ' ' ILE . 48.7 t -42.79 127.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 40' ' ' LYS . 92.8 t -111.07 -49.37 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -148.68 137.38 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 56.5 mt -126.27 95.34 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -86.54 147.17 26.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.5 121.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.6 t70 -94.32 116.62 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -75.26 153.58 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 107.89 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.26 176.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -56.39 104.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.44 152.83 8.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.5 m -49.67 128.92 18.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -152.92 -151.92 5.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -136.41 174.75 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -98.84 136.44 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 24' ' ' ASP . 22.6 m -147.57 150.35 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.0 167.88 35.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -126.82 119.48 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.644 ' HB2' HD11 ' A' ' 50' ' ' LEU . 5.9 tp -106.61 139.49 40.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -127.05 119.92 27.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' CD1' HD11 ' A' ' 37' ' ' LEU . 7.4 mp -109.86 144.38 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 34.2 ttpt -89.76 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.8 OUTLIER -89.27 169.82 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' GLU . 26.6 m -39.79 111.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 4.5 mm-40 36.2 39.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' THR . 4.3 ttp -167.15 149.64 6.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -106.83 138.02 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 m -123.62 136.09 54.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mt -110.78 132.2 59.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.62 135.31 54.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -75.26 121.39 22.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 37' ' ' LEU . 44.5 mt -96.25 125.51 40.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.36 -127.7 5.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 m -100.64 -68.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.85 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.3 mtt -71.85 -46.15 58.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.4 -43.56 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -49.01 -34.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -72.37 -40.57 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -69.18 -17.43 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.9 p -92.06 -45.0 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.45 6.07 47.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp 40.61 52.5 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.704 HG11 HG21 ' A' ' 69' ' ' ILE . 87.2 t -62.77 130.81 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.8 171.52 13.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.25 146.76 54.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.01 -28.63 14.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.36 164.33 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.9 t -107.37 113.98 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.704 HG21 HG11 ' A' ' 63' ' ' VAL . 2.6 pp -113.92 141.57 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 HD11 ' A' ' 81' ' ' LEU . 19.2 p -96.8 161.52 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.7 mt -132.07 124.87 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.489 ' CG ' ' CD1' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -107.34 100.45 9.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HE3' HD11 ' A' ' 14' ' ' ILE . 37.4 mttt -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.75 -48.4 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -122.68 -11.59 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.82 16.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.65 156.64 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' THR . 23.0 mt -121.44 143.16 34.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m -129.14 153.36 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.45 141.48 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.803 HD11 HG23 ' A' ' 70' ' ' THR . 1.9 mt -124.03 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.06 152.77 7.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -40.15 142.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -172.48 147.95 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -67.85 143.17 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.8 m -73.56 147.15 44.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -76.04 86.63 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.52 158.68 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -125.01 141.22 52.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.2 p -99.84 40.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 50.03 -106.6 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 110.47 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -100.98 163.2 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 p -127.05 -44.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 144.6 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -118.92 116.65 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.37 51.47 3.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -67.38 78.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.831 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -126.67 108.03 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -99.23 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -146.27 107.72 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.739 0.304 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.36 108.63 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 5.5 pt-20 -102.95 110.74 22.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.49 149.55 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.37 37.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' ' OD2' ' A' ' 72' ' ' ASP . 4.6 mm -137.39 146.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -149.39 114.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 70' ' ' THR . 12.6 tt0 -102.92 124.73 48.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.76 ' CA ' HD23 ' A' ' 39' ' ' LEU . . . -137.77 166.25 25.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 29.9 tt0 -93.1 106.87 18.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.928 HG11 HD11 ' A' ' 21' ' ' ILE . 4.0 t -43.11 110.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' GLU . 92.4 t -101.6 -52.15 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -141.79 138.34 32.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.928 HD11 HG11 ' A' ' 18' ' ' VAL . 50.2 mt -130.25 110.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -117.75 134.38 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -116.5 125.11 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -84.13 107.08 16.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -66.53 145.7 98.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.92 4.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 -53.02 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 29' ' ' GLY . 5.2 t -60.37 -46.81 88.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.475 ' N ' HG23 ' A' ' 28' ' ' THR . . . -150.11 143.58 10.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 t -86.03 151.43 23.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.97 -147.43 17.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -45.49 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -118.74 150.77 39.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.3 m -143.0 154.23 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 50' ' ' LEU . . . -161.0 162.07 33.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 47' ' ' ILE . 18.8 ttpt -116.47 130.14 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.635 HD11 ' CD1' ' A' ' 39' ' ' LEU . 12.1 tp -124.09 145.3 49.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' HD12 ' A' ' 39' ' ' LEU . 89.1 m -128.23 126.38 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.76 HD23 ' CA ' ' A' ' 16' ' ' GLY . 8.1 mp -130.19 136.13 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 14.2 ttpp -89.8 114.24 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 43' ' ' GLU . 18.3 p -85.09 169.97 13.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.7 m -45.67 -18.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 41' ' ' THR . 18.0 mt-10 -114.16 -77.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -178.64 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 40.8 mt-10 -92.65 159.52 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.7 m -150.2 134.17 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 36' ' ' LYS . 7.7 mt -82.77 126.61 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -104.49 117.59 34.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.16 116.98 4.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 37' ' ' LEU . 15.1 mt -98.01 162.61 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.3 -111.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 m -120.09 -36.6 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -76.57 -41.4 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 mtt -57.15 -43.47 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.27 -42.77 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -46.2 -27.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.9 m -83.14 -49.54 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -60.8 -12.08 9.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.3 p -93.79 -51.6 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -52.71 -27.87 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LYS . 5.8 m-20 -120.96 11.11 10.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ASP . 30.4 mmtm 35.11 45.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.45 134.64 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -130.25 177.29 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.78 141.76 56.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.52 -30.55 8.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.6 m-20 -87.55 171.12 10.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.11 115.63 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.614 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.0 pp -120.37 147.66 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 1.084 HG23 HD11 ' A' ' 81' ' ' LEU . 58.8 p -95.91 171.69 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.76 108.57 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -89.77 99.89 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -57.35 -37.36 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.5 -56.89 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 77' ' ' LYS . 8.8 t -121.64 14.58 10.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.6 25.38 55.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' CG ' HG23 ' A' ' 75' ' ' THR . 7.9 mmtp -85.51 155.46 21.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 70' ' ' THR . 45.3 mt -129.2 134.63 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -123.97 152.32 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HG3' HG22 ' A' ' 69' ' ' ILE . 3.5 ttpm? -100.43 135.84 41.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.084 HD11 HG23 ' A' ' 70' ' ' THR . 2.1 mt -118.57 166.13 13.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.28 -66.95 2.24 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.428 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -151.32 -179.06 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.329 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -60.7 108.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.12 -47.74 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 87' ' ' ARG . 26.8 m -48.51 157.38 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 86' ' ' THR . 9.1 tpp180 -93.49 117.39 30.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 -57.28 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 49.94 42.32 24.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 m -114.11 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.22 69.64 0.12 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 161.12 47.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.0 p -153.06 124.69 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.3 p -117.89 176.89 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.979 . . . . . . . . 0 0 . 1 stop_ save_