data_2e7c_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 2e7c _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 ' 18' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 21.7 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 -48.54 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -147.52 133.32 9.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.731 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.68 69.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.42 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.5 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.06 118.37 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.65 94.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -71.92 102.7 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -91.96 124.81 59.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.631 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.77 166.21 28.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -73.63 -23.47 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 27' ' ' PRO . 22.7 p80 -78.21 -8.48 58.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HG ' ' CE1' ' A' ' 29' ' ' HIS . 20.6 mt -107.93 -11.18 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -83.65 28.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -161.39 143.72 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -37.72 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.72 99.35 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -85.19 121.34 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -142.13 167.47 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -100.1 164.36 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.41 147.04 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.99 -39.43 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -54.22 158.72 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -88.86 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.19 146.98 25.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -148.17 105.75 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.5 mt -124.29 121.14 34.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -116.53 96.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 t -102.83 101.78 23.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.625 0.726 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.13 41.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -129.68 140.52 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.0 159.97 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.93 170.69 13.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 32.7 mtmt -157.1 159.77 30.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.79 0.25 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.333 -0.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 94.25 19.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 54.2 Cg_endo -69.79 124.03 10.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.98 153.43 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.95 114.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 58' ' ' TRP . 61.4 t -107.11 136.56 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 59.4 m95 -121.4 126.78 50.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 p -142.67 149.28 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.516 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 18.2 tptm -116.03 83.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.86 -23.84 29.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.4 -21.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.99 146.84 34.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.64 67.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.27 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.33 140.72 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.4 p 45.21 36.72 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -122.38 -37.98 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -116.76 -18.2 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.23 142.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.53 98.55 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.41 110.49 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -104.27 95.98 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.3 m -91.49 127.67 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.6 t -116.01 136.46 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' SER . 9.8 t70 -34.49 -41.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.76 -61.71 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -147.65 165.1 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.4 ' C ' HG21 ' A' ' 80' ' ' VAL . 12.2 t -99.28 157.93 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.4 HG21 ' C ' ' A' ' 79' ' ' THR . 61.3 t -138.99 134.79 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -119.45 132.81 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -145.67 156.47 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 47.6 t -145.62 134.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.408 ' N ' HG11 ' A' ' 83' ' ' VAL . 21.7 ttm180 -51.12 -57.45 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -135.03 124.75 25.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.49 92.18 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.47 143.25 42.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -45.44 -28.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 90' ' ' ASP . 47.8 m -63.48 -54.56 34.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.7 m-20 -36.11 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.6 p -40.42 109.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' HA3' ' CE ' ' A' ' 60' ' ' LYS . . . -169.33 -139.31 2.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -133.52 123.1 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.549 ' CE1' HD12 ' A' ' 111' ' ' ILE . 3.4 m-85 -102.09 117.58 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -100.04 122.4 42.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD12 ' CZ2' ' A' ' 58' ' ' TRP . 1.4 tt -110.84 120.28 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 m -122.32 137.17 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.31 122.21 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -93.08 136.4 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 101' ' ' GLU . 10.6 mm -136.52 160.17 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 100' ' ' ILE . 32.9 mm-40 -33.12 -67.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.41 18.99 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 24.9 mtp -132.63 160.52 36.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -154.86 151.32 28.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.8 p -138.12 161.09 37.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.05 152.17 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.8 m -118.56 149.49 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.9 mt -140.76 125.5 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -95.28 127.69 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.549 HD12 ' CE1' ' A' ' 94' ' ' TYR . 66.7 mt -126.26 127.29 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -123.97 131.85 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.0 t -116.05 129.16 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.37 131.51 42.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 42.9 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.9 70.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -141.57 135.71 14.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.756 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 147.98 63.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.403 ' CG ' HG13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 148.47 65.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -159.68 114.08 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.31 96.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.21 111.65 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.74 143.14 25.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.73 -165.65 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -116.42 3.15 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.8 p80 -106.72 -24.1 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -82.28 -32.59 29.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -44.85 -46.62 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 17.9 mt-30 -83.1 142.76 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 8.3 m -35.61 112.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.94 118.71 10.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -103.43 120.72 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -141.14 146.67 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -80.14 158.5 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.77 143.53 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.14 -26.11 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.18 144.01 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -73.26 134.33 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -91.22 148.4 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -148.33 112.4 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' ' 81' ' ' PHE . 23.1 mt -127.4 111.61 14.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -107.82 96.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.25 101.6 17.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.61 45.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.2 p90 -156.94 168.45 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -132.82 152.32 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.16 169.04 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.1 mtmt -162.45 161.2 20.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.81 -46.86 0.34 Allowed 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.321 -0.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -133.64 94.07 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.3 Cg_endo -69.78 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.03 142.57 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.2 t -118.38 117.51 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 58' ' ' TRP . 92.5 t -111.01 137.25 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.547 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 58.1 m95 -119.42 126.41 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -127.74 131.12 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -102.8 81.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.48 34.16 17.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.23 8.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.31 154.25 3.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.03 66.78 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.85 171.16 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.7 m-20 -99.68 82.16 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.8 p -38.9 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' ASP . 7.6 t -51.47 -47.25 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -104.88 -24.18 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -89.82 135.51 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -118.27 111.97 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.64 122.05 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -98.99 95.86 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 m -92.69 123.44 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t -120.86 144.07 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.62 -36.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.19 -66.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.436 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.9 p30 -143.13 166.05 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -110.42 155.52 22.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.79 153.04 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.543 ' CE1' HG22 ' A' ' 83' ' ' VAL . 16.0 t80 -132.01 129.83 40.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -138.4 158.14 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' A' ' 81' ' ' PHE . 69.2 t -143.15 143.62 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 16.4 ttm105 -56.09 -55.55 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.51 138.72 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.29 89.38 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.73 145.53 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -48.59 -19.43 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -77.43 -37.51 51.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.75 -37.61 63.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -40.68 107.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.13 -146.78 4.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -133.21 110.23 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 111' ' ' ILE . 4.5 m-85 -90.01 120.24 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -107.51 108.97 20.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.547 HD13 ' CZ2' ' A' ' 58' ' ' TRP . 1.4 tt -95.92 121.66 37.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.5 m -125.65 129.25 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.86 109.37 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.45 121.97 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 101' ' ' GLU . 20.8 mm -112.98 160.66 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' ILE . 14.2 mt-10 -30.85 -60.22 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -118.66 -33.17 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 66.3 mtp -84.78 167.76 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 16.9 tttt -156.21 151.1 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 4.7 t70 -135.25 155.68 50.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.0 p -139.09 148.05 42.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.86 143.78 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -113.6 142.33 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' TYR . 44.7 mt -131.0 135.63 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -106.28 134.36 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.56 HD13 ' CE1' ' A' ' 94' ' ' TYR . 85.9 mt -133.7 142.16 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -136.34 140.43 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.54 139.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.8 m -122.43 163.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -80.61 161.2 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.8 mttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.43 -42.58 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -146.39 132.25 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.421 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.4 Cg_endo -69.77 146.7 60.91 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -159.02 111.52 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 29.3 mt -84.35 95.18 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -81.25 103.58 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.12 135.22 37.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.81 -175.13 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -90.07 -10.56 44.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 6.7 p80 -96.07 -2.21 47.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.2 mt -118.45 12.37 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -80.64 -36.91 31.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -110.6 168.37 9.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 m -47.36 118.86 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -73.23 115.93 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mm -92.81 128.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -149.43 168.64 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -106.3 153.71 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 87' ' ' ALA . 10.5 p -69.81 144.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 38' ' ' VAL . . . 76.75 -11.36 14.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -83.22 143.14 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -60.09 147.67 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 86' ' ' ALA . 20.1 mt -107.78 147.19 31.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -149.03 106.28 3.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.518 HD11 ' CD1' ' A' ' 81' ' ' PHE . 35.4 mt -124.13 108.23 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 99.61 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -109.25 101.72 46.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.46 40.12 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -130.22 159.14 37.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -122.22 166.39 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.26 159.15 8.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.5 mttm -149.39 159.29 36.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -47.94 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.323 -0.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -132.24 99.34 16.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.86 22.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -84.04 140.68 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -117.24 129.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.49 131.61 72.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.48 ' CZ2' HD21 ' A' ' 96' ' ' LEU . 83.9 m95 -113.72 118.98 35.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 p -127.38 125.81 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.1 tmtt? -104.07 90.22 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 48.11 7.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.48 48.49 84.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.56 149.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.73 20.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 60' ' ' LYS . 1.8 mt -102.27 175.74 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' SER . 6.5 m-20 -108.26 86.84 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.3 p -40.02 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' ASP . 47.7 t -54.69 -45.53 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -99.26 -36.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 71' ' ' HIS . 18.6 t -88.08 145.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.433 ' N ' HG12 ' A' ' 70' ' ' VAL . 25.1 m-70 -126.87 84.67 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.3 t -92.67 116.89 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.48 97.27 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -87.05 136.38 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 t -125.92 142.43 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.37 -58.61 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.41 165.09 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 t -97.79 144.49 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.22 132.82 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CD1' HD11 ' A' ' 44' ' ' LEU . 19.6 t80 -117.18 129.45 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CD1' ' N ' ' A' ' 83' ' ' VAL . 2.0 t80 -140.24 154.21 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.621 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 35.3 t -145.49 135.21 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -54.98 -52.4 63.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -140.83 122.61 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.425 ' CB ' HD13 ' A' ' 42' ' ' LEU . . . -95.17 84.5 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.14 145.12 48.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ALA . 65.0 mtp85 -33.89 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 65.1 p -60.54 -49.1 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 87' ' ' ALA . 7.3 t70 -45.9 -38.19 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -43.52 136.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.55 -144.55 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -130.52 115.11 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' A' ' 111' ' ' ILE . 3.0 m-85 -92.87 118.98 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -90.79 113.28 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 HD21 ' CZ2' ' A' ' 58' ' ' TRP . 2.3 tm? -99.66 114.88 28.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.8 m -130.25 137.56 50.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.412 HG22 ' CG1' ' A' ' 24' ' ' ILE . 13.7 t -105.51 114.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -93.08 115.78 28.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 101' ' ' GLU . 3.2 mm -109.01 159.95 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 100' ' ' ILE . 22.5 mt-10 -33.92 -52.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -125.48 -28.95 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.6 mmm -86.08 161.98 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.39 130.72 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.04 164.54 15.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 p -141.16 161.24 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -164.63 155.3 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 109' ' ' ILE . 77.2 m -123.58 141.45 51.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 108' ' ' THR . 38.7 mt -132.49 139.2 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -112.09 126.06 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' A' ' 94' ' ' TYR . 74.9 mt -120.89 128.8 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.97 124.38 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.54 131.02 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 4.4 pt-20 -69.91 122.85 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.6 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.51 94.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' N ' ' HB2' ' A' ' 51' ' ' LYS . 20.9 tt0 -155.2 134.46 7.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.698 0.761 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.79 68.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.236 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.72 149.57 67.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -165.16 121.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.2 mt -95.78 96.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -74.95 97.5 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.17 137.33 32.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.83 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -104.62 -10.24 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -92.99 -8.51 42.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -97.12 -37.58 10.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 15.1 mtp-105 -38.63 -49.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -86.69 152.52 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 m -45.99 120.19 2.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -72.92 107.96 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.1 mm -98.72 126.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -145.37 153.56 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HD2' ' CB ' ' A' ' 116' ' ' LYS . 35.3 mtmt -84.63 152.66 23.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 39' ' ' GLY . 32.9 t -61.97 154.73 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' A' ' 38' ' ' VAL . . . 83.44 -46.69 3.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.05 156.09 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -80.88 154.48 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 58.2 mt -110.31 102.25 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -104.07 119.48 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.78 102.13 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.58 95.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.42 101.77 14.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 138.65 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.1 p90 -137.08 149.06 47.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -118.27 154.83 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.4 165.08 15.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 31.8 mmtp -155.72 153.14 25.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.709 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.78 -50.79 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.305 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -134.76 96.79 14.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 122.47 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.63 148.12 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 57' ' ' VAL . 90.1 t -116.65 137.84 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' N ' HG13 ' A' ' 56' ' ' VAL . 88.0 t -122.81 120.44 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -110.68 118.24 35.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 p -158.87 122.27 3.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 129.53 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.04 -9.38 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.04 35.5 3.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.69 146.57 20.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.66 4.2 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 70' ' ' VAL . 8.2 mp -45.52 154.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.72 -13.38 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p 44.54 39.22 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -120.7 -36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -116.21 -23.23 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 65' ' ' LEU . 93.3 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -93.21 100.95 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.0 t -107.11 111.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 4.5 mmm180 -96.86 96.29 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 m -83.37 108.8 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -112.52 134.48 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.4 m-85 -83.05 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 7.3 p-10 -151.04 165.74 32.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -100.75 156.3 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 81' ' ' PHE . 52.9 t -138.54 136.77 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.2 t80 -121.71 129.61 52.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -132.82 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 9.6 t -146.54 128.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.49 -61.13 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -133.67 126.87 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.82 85.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.01 136.67 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -41.62 -33.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -56.57 -51.8 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' SER . 27.8 t70 -44.19 -41.26 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' ASP . 26.4 p -36.19 119.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.61 -156.2 16.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.53 109.55 13.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -89.51 120.68 31.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -108.04 111.26 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 tp -95.69 118.04 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.77 125.37 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.1 t -96.34 106.74 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.29 126.31 35.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 9.4 mm -120.86 159.97 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 100' ' ' ILE . 27.7 mm-40 -33.17 -49.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.73 -31.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.406 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 88.6 mmm -84.01 165.57 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 ttpt -159.74 151.57 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 1.4 m-20 -142.82 159.91 41.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -140.71 163.6 32.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.13 161.28 28.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 109' ' ' ILE . 86.8 m -128.26 137.9 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.426 ' N ' HG22 ' A' ' 108' ' ' THR . 45.1 mt -133.44 116.81 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 17.3 mtm105 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -117.98 129.2 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -126.73 130.54 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.53 124.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.72 140.7 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.28 143.37 55.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.409 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.1 -53.69 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.1 tp10 -138.67 132.09 16.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.13 64.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 116.25 4.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.26 118.93 27.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.4 mt -90.07 107.36 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -88.81 108.93 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 30' ' ' LEU . 7.6 mt -100.25 133.66 21.31 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' CG ' HD11 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.77 -168.76 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -95.37 -40.09 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -60.02 -17.89 42.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 26' ' ' LEU . 14.7 mt -90.15 -49.29 6.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.7 mtp85 -33.96 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . 33.7 mt-30 -100.25 161.11 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -52.49 120.84 6.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -74.06 100.6 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.33 125.43 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -147.92 143.32 27.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 116' ' ' LYS . 32.0 mtpt -78.6 154.08 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.2 148.66 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.49 -39.38 2.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -57.28 150.38 18.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -73.45 147.89 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.1 mt -104.22 143.36 33.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -147.3 112.26 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -130.77 113.78 14.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.78 94.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.06 101.76 15.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.53 60.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -141.53 155.33 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -120.05 174.26 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.6 162.93 10.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 25.9 mttt -155.71 160.81 30.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.79 -48.45 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -134.29 97.41 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.2 Cg_endo -69.83 141.37 44.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -96.64 135.04 39.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.5 t -100.72 153.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.19 121.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -108.65 126.66 53.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 p -155.54 142.05 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -101.49 81.73 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.08 -43.18 2.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.73 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.1 147.38 19.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.87 13.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.7 mt -44.54 151.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.91 -31.26 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p 50.22 32.51 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -118.69 -40.2 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -116.51 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.54 128.01 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.2 110.4 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 p -128.58 127.29 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -119.17 102.09 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.6 m -82.77 127.6 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -101.45 -177.57 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -20.62 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -105.98 -49.86 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 14.5 p30 -141.88 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -107.6 163.78 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -137.83 132.01 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 7.0 t80 -121.28 129.95 53.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.88 153.76 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 21.6 t -139.79 132.94 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -51.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -129.81 126.51 38.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.3 102.0 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 139.47 30.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -42.87 -38.29 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -56.06 -45.79 79.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 3.4 m-20 -39.84 -42.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' ASP . 98.4 p -37.21 119.1 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.98 -149.77 7.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -131.73 111.73 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -88.15 118.97 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -100.51 122.97 44.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.8 tp -111.26 115.87 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 m -127.89 122.62 32.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.79 116.63 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -93.05 124.11 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 20.2 mm -115.5 160.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' ILE . 53.3 mm-40 -33.11 -49.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -130.27 -31.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 75.3 mmm -84.09 167.24 16.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -159.93 142.15 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -128.83 162.78 26.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.7 p -138.76 166.08 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.09 12.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.3 m -130.31 141.84 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.57 132.92 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -103.17 117.81 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.46 121.53 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -118.06 131.58 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.73 132.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 37' ' ' LYS . 14.7 m -115.65 158.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.84 124.56 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.42 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -143.26 131.34 11.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.16 69.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.75 46.24 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -157.13 120.65 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.4 99.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -82.05 105.7 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -86.21 141.73 35.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 54.1 Cg_endo -69.76 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.46 3.1 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 4.4 p80 -106.01 -18.6 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.87 -34.28 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -45.98 -42.17 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 14.6 pt20 -92.26 142.95 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 4.8 m -34.79 107.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -69.68 114.49 7.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mm -100.62 127.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.14 142.4 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -75.43 158.98 31.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.5 m -74.03 158.47 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.46 -36.76 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.13 155.25 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -77.18 154.54 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -111.98 123.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -117.59 119.34 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -133.81 101.12 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.73 92.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.54 101.79 19.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.9 Cg_endo -69.75 161.95 43.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 19.4 p90 -166.64 155.51 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.19 148.21 4.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.7 mtpp -148.62 161.04 34.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.74 -49.48 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.368 -0.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.02 95.17 34.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 54.0 Cg_endo -69.77 126.73 13.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -69.77 163.59 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.7 t -143.23 132.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.86 128.11 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -113.76 125.05 53.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -139.27 164.96 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 31.0 mtpt -119.16 38.89 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.73 -31.41 3.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.56 -36.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 151.81 38.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -178.63 2.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.93 178.7 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -114.33 81.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.1 p -40.32 -28.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 t -50.37 -49.21 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -97.75 -44.89 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -82.85 135.35 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.75 103.82 13.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.5 t -119.02 107.91 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.447 ' CG ' ' HB ' ' A' ' 80' ' ' VAL . 17.6 ptt180 -92.43 102.68 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -92.76 146.07 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.4 t -139.02 139.44 37.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' OD2' ' CE1' ' A' ' 77' ' ' PHE . 4.0 p-10 -39.53 -28.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE1' ' OD2' ' A' ' 76' ' ' ASP . 14.2 m-85 -79.04 -68.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 47' ' ' PRO . 5.9 p-10 -141.48 164.51 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.02 153.94 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.447 ' HB ' ' CG ' ' A' ' 73' ' ' ARG . 46.7 t -136.75 136.63 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -119.96 137.89 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -147.03 136.43 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -135.79 129.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -52.9 -58.03 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.9 128.86 48.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 74.67 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.45 153.71 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' ALA . 58.4 m -68.06 -43.8 77.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -50.12 -43.46 51.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.4 t -52.95 145.33 12.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 160.82 -136.44 4.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -133.05 103.55 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.411 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 4.5 m-85 -87.66 114.56 24.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.48 124.1 44.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' ALA . 43.6 tp -112.65 139.04 48.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.65 160.03 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -132.53 109.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -90.66 127.71 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 101' ' ' GLU . 4.1 mm -122.53 160.45 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 100' ' ' ILE . 6.7 mm-40 -30.24 -59.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -125.12 -19.04 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.1 mmm -95.89 166.08 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -160.08 152.85 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -140.47 160.07 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.2 p -143.63 162.66 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -166.06 148.24 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.2 m -123.44 134.76 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.42 147.48 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -117.87 123.17 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.51 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -125.67 130.53 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 91' ' ' SER . 99.5 t -110.89 134.12 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.19 150.69 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -80.95 152.15 28.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 69.3 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.886 0.374 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.38 -48.21 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 12.7 tp10 -149.26 130.43 7.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 150.09 67.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -150.6 106.73 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.83 87.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.0 mmm180 -65.23 109.1 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -101.19 135.72 19.85 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -107.84 1.22 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.44 7.35 30.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -132.68 12.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -80.77 -34.48 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -101.22 -68.37 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 34' ' ' TYR . 92.8 m -166.28 140.43 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.432 ' N ' HG23 ' A' ' 33' ' ' THR . 6.8 t80 -95.02 98.99 11.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -84.07 130.45 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -152.71 151.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -81.72 164.78 21.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -81.81 152.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.95 -25.24 4.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.28 160.66 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -85.73 126.05 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.49 143.22 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -148.59 110.33 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' A' ' 34' ' ' TYR . 46.4 mt -120.85 114.53 21.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -109.91 90.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.14 101.75 28.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.81 67.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -143.13 146.5 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -110.28 167.99 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 137.02 154.49 6.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.6 mptt -144.62 160.51 47.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.64 101.35 11.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.76 121.75 8.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.23 . . . . 0.0 112.322 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -76.13 135.9 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.2 149.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -151.04 120.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -106.22 139.72 40.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 p -151.52 143.55 23.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -108.46 75.43 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.03 -45.77 1.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.99 42.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 158.75 12.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.11 41.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 mt -58.52 158.64 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -20.53 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 p 39.42 40.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -128.32 -36.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -115.98 -21.8 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.6 t -89.49 132.07 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.594 ' N ' ' HD1' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -103.36 83.21 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.11 104.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -103.81 98.26 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 75' ' ' SER . 40.6 m -99.78 144.53 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.433 ' N ' HG21 ' A' ' 74' ' ' THR . 87.6 p -134.95 155.47 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.93 -19.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -85.27 -65.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -149.63 165.95 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -97.82 150.07 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.39 131.67 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CZ ' HG22 ' A' ' 83' ' ' VAL . 19.1 t80 -119.83 129.48 54.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -139.27 151.25 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' CZ ' ' A' ' 81' ' ' PHE . 71.0 t -147.34 124.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -37.95 -66.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -129.33 128.71 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.8 91.58 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -81.71 148.67 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' ALA . 83.1 mtm-85 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 m -46.39 -50.68 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' SER . 12.8 t70 -38.07 -49.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' ASP . 19.5 m -35.8 118.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.96 -148.92 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' CD ' HG21 ' A' ' 108' ' ' THR . 4.0 tm-20 -129.3 115.12 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.92 125.1 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.98 119.2 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 107' ' ' ALA . 57.5 tp -105.21 124.36 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.72 167.61 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 77.9 t -144.14 117.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -92.0 136.19 33.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 101' ' ' GLU . 6.6 mm -138.58 160.21 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 100' ' ' ILE . 7.8 mm-40 -31.45 -67.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -129.45 28.24 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.432 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 21.5 mtp -141.67 157.75 44.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -158.39 148.6 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -143.26 143.37 31.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 p -124.9 149.57 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -140.29 154.89 46.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.421 HG21 ' CD ' ' A' ' 93' ' ' GLU . 78.7 m -120.93 132.99 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -120.8 116.45 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 112' ' ' ARG . 75.8 mt -100.94 148.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 12.9 tpt180 -129.85 144.72 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.439 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 61.4 t -134.8 119.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.65 142.04 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.76 134.75 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.71 -42.79 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HB3' ' N ' ' A' ' 51' ' ' LYS . 4.0 tp10 -149.81 131.78 7.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.2 67.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.3 Cg_endo -69.81 142.75 48.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -157.64 110.6 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.3 mt -84.98 100.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -76.39 101.59 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.32 127.27 71.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.729 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 54.4 Cg_endo -69.75 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -100.6 -9.74 21.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.9 p80 -97.48 2.03 49.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.19 4.54 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -77.62 -15.38 59.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -135.81 174.54 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -57.38 115.53 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.1 123.77 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -113.62 119.87 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -147.28 164.1 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -96.69 146.76 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 113' ' ' VAL . 30.1 t -57.83 152.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.97 -41.74 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.08 142.17 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 5.2 mt-30 -73.99 127.32 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.8 mt -79.64 147.96 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.29 107.63 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 mt -129.51 102.15 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 11.2 p -106.61 100.63 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.8 101.82 15.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.725 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.6 Cg_endo -69.79 139.87 41.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 12.5 p90 -126.17 162.23 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -125.13 154.26 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.38 170.23 15.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 31.5 mmtp -152.46 154.77 32.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.77 -44.45 0.51 Allowed 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.335 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -142.53 106.29 5.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 133.98 26.94 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 4.1 tp-100 -80.45 150.31 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 58.9 t -122.12 135.49 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.18 121.02 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -108.88 136.14 48.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 p -143.21 147.94 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 21.7 tptp -114.91 88.01 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 39.93 35.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.11 49.41 9.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.86 154.81 1.84 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.31 57.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -92.49 174.03 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.26 95.24 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 p -55.6 -14.28 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -64.76 -17.0 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -134.38 -41.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.83 133.6 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -118.41 98.62 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -99.59 120.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -99.09 97.2 8.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -93.51 123.79 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 p -123.23 143.19 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -26.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -80.51 -68.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 47' ' ' PRO . 11.1 p30 -143.9 165.24 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -98.02 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 132.76 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.59 129.31 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -144.87 148.41 33.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.9 t -138.04 129.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -40.03 -61.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -132.6 132.6 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.2 88.11 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.58 173.93 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' NE ' ' HG2' ' A' ' 115' ' ' GLU . 11.4 mmt85 -69.19 -16.78 63.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 91' ' ' SER . 3.2 m -85.02 -45.48 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.8 m-20 -35.14 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.5 t -60.69 145.7 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.12 -142.61 8.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.518 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 3.2 tt0 -132.97 105.74 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.45 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 4.3 m-85 -87.78 121.68 30.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.84 126.42 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 tp -120.69 110.19 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.2 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.85 114.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.95 120.18 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 101' ' ' GLU . 7.9 mm -115.98 160.0 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 100' ' ' ILE . 11.8 mt-10 -32.77 -53.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.02 -29.04 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.453 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 96.3 mmm -85.42 163.67 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -159.9 137.53 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.08 163.44 22.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.9 p -137.68 160.3 39.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.32 151.77 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 42.4 m -129.71 131.04 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.98 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -109.52 134.01 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 ' CD1' ' A' ' 94' ' ' TYR . 63.1 mt -126.85 145.62 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -138.74 133.68 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 38' ' ' VAL . 36.3 t -114.43 121.66 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.51 142.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.46 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 15.8 mt-10 -62.66 135.43 57.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 103' ' ' MET . 24.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.08 -29.29 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -159.51 132.46 4.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.68 65.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 151.77 69.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.24 112.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.48 109.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -91.74 97.09 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -87.76 144.75 35.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -107.16 2.55 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.6 p80 -108.56 1.29 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt -127.9 30.31 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -102.4 -20.57 14.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -124.38 -57.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 m -168.82 142.29 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE2' HD21 ' A' ' 44' ' ' LEU . 8.8 t80 -105.69 102.34 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -84.19 118.81 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -137.81 144.37 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -78.7 150.17 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -68.42 153.92 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.75 -42.82 2.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.65 160.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.52 131.84 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -84.72 148.54 26.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -147.96 106.82 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 34' ' ' TYR . 28.5 mt -124.06 102.57 7.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.99 97.57 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.32 101.8 33.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 144.5 53.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 21.7 p90 -131.22 162.63 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -128.66 162.07 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.61 162.87 9.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.0 mmtm -146.7 153.98 47.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.76 -49.34 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.339 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.83 103.4 12.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.76 122.94 9.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -70.29 147.5 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' A' ' 48' ' ' PHE . 68.1 t -116.43 144.33 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -139.42 146.11 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -131.19 138.22 49.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.0 p -145.42 133.97 22.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -111.9 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.65 31.71 7.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 16.69 77.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.78 144.81 34.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.13 66.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -86.22 162.29 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' SER . 29.6 t70 -100.48 11.43 39.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 p 39.83 28.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.4 t -97.33 -40.52 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -112.86 -15.6 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.4 138.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' A' ' 71' ' ' HIS . 5.0 t-80 -113.02 102.91 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -118.41 145.92 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -129.84 100.07 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -89.59 132.42 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 82.5 p -127.54 138.19 52.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.8 p-10 -36.83 -33.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.0 m-85 -73.77 -68.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.451 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -145.75 165.09 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -98.86 144.34 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -132.13 136.55 56.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -119.98 131.92 55.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -145.79 150.25 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.6 t -137.03 149.36 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -56.75 -53.93 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.5 131.63 40.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.3 44.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.33 152.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -41.71 -51.36 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' ASP . 51.8 p -41.69 -53.87 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -35.46 -48.53 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASP . 29.9 p -37.74 117.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.59 -149.78 6.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 6.0 tt0 -133.52 112.04 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.3 m-85 -96.48 119.82 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.78 114.73 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.91 128.18 42.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.5 m -131.04 118.66 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.7 t -92.78 113.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -94.02 129.32 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 10.7 mm -118.42 160.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' ILE . 17.3 mt-10 -32.6 -48.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.97 -31.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 87.0 mmm -84.84 166.47 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.09 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -138.14 161.75 35.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.8 p -143.83 158.5 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.59 153.12 12.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 90.4 m -124.17 136.45 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.12 144.15 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.5 mtm-85 -111.14 117.3 32.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 94' ' ' TYR . 83.2 mt -116.58 121.61 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -121.02 128.76 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.33 144.18 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.86 141.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.08 137.31 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 1.1 tmtp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.49 76.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.4 tp10 -156.76 133.58 6.42 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.651 0.739 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.52 68.79 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -169.07 132.65 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.437 HD12 ' CB ' ' A' ' 107' ' ' ALA . 22.3 mt -105.65 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -78.15 106.73 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.26 142.56 26.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.73 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -105.56 -5.94 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.8 p80 -101.13 0.54 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.512 HD23 ' CD1' ' A' ' 34' ' ' TYR . 93.2 mt -119.05 -0.39 11.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -70.35 -48.06 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -87.44 -67.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 19.8 m -168.8 154.22 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 30' ' ' LEU . 3.0 t80 -105.71 97.29 7.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 37.1 mm -88.66 121.79 39.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -147.91 148.45 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -77.68 159.27 29.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' CG1' ' CG1' ' A' ' 113' ' ' VAL . 4.9 m -75.41 160.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -39.41 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.54 178.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.7 134.7 42.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.68 103.21 15.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -105.44 115.31 30.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 34' ' ' TYR . 4.0 mt -129.19 124.04 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.19 93.25 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.62 101.73 19.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 54.1 Cg_endo -69.67 148.01 64.72 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.8 p90 -143.79 156.96 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -123.64 152.74 41.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.47 157.19 8.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 14.2 mtpt -151.77 160.87 30.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.73 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.359 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -130.71 91.68 36.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.72 121.62 8.32 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -77.79 137.96 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.52 139.99 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.4 t -128.51 123.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -109.14 132.3 54.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 p -152.51 144.83 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -109.06 80.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.26 -31.04 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.06 42.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.465 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.78 147.34 8.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.83 33.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.6 149.67 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.14 -19.92 8.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.3 p 43.79 30.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -111.55 -43.04 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -112.18 -23.11 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.7 t -84.54 136.84 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -116.32 83.36 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.12 116.23 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -102.51 98.01 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -91.38 141.76 28.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' PHE . 22.7 p -137.35 135.74 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 29.8 t70 -35.58 -33.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 91.7 m-85 -74.48 -74.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.458 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 25.1 p30 -135.52 163.54 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.3 t -99.04 150.76 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -133.04 137.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CE2' HG23 ' A' ' 83' ' ' VAL . 71.5 t80 -120.72 131.59 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -137.57 146.89 44.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.544 HG23 ' CE2' ' A' ' 81' ' ' PHE . 42.7 t -147.39 126.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -42.7 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.17 135.05 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.08 84.26 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -81.33 139.8 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' ALA . 5.7 mtm105 -34.62 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 87' ' ' ALA . 34.8 t -58.85 -49.3 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 9.7 m-20 -51.44 -41.64 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -37.86 140.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.15 -149.28 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -125.97 110.37 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CD1' HD13 ' A' ' 111' ' ' ILE . 3.8 m-85 -89.02 116.17 27.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -95.85 118.46 32.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 24' ' ' ILE . 13.2 tp -108.38 117.08 33.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.84 142.74 50.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.8 t -112.1 125.63 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -97.33 145.13 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 18.5 mm -142.83 160.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 100' ' ' ILE . 12.9 mm-40 -33.04 -66.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -125.91 24.35 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.6 mtp -140.39 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.77 138.03 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.88 161.73 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.5 p -134.12 160.71 36.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 24' ' ' ILE . . . -159.93 143.99 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 109' ' ' ILE . 95.2 m -114.45 137.22 52.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.425 ' N ' HG21 ' A' ' 108' ' ' THR . 73.0 mt -133.18 122.98 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -98.3 129.29 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 94' ' ' TYR . 94.3 mt -122.61 123.33 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.451 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 29.6 ttt180 -114.07 132.78 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.434 ' CG1' ' CG1' ' A' ' 38' ' ' VAL . 56.0 t -113.6 127.77 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 26.9 m -114.98 145.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.66 154.48 41.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.58 -39.0 53.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -149.44 129.23 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.66 0.743 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 150.66 67.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 54.0 Cg_endo -69.76 112.04 2.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -120.93 120.69 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.34 94.06 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -78.62 108.65 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' CD2' HD11 ' A' ' 30' ' ' LEU . 7.6 mt -105.83 134.03 19.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.54 0.686 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.7 Cg_endo -69.73 156.27 63.84 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.04 -24.74 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.544 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 12.1 p-80 -79.7 -4.79 53.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 25.1 mt -113.98 2.39 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -88.41 -0.99 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -133.16 -74.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -166.54 144.48 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CE2' HD23 ' A' ' 44' ' ' LEU . 3.1 t80 -98.58 103.61 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.5 mm -85.93 125.14 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -148.35 159.54 43.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -94.22 146.87 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.57 157.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.24 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.35 142.64 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.47 132.38 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.76 148.43 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -147.25 110.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 34' ' ' TYR . 69.7 mt -124.99 100.38 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 8.1 p -101.86 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 2.4 t -112.18 101.64 52.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.8 143.22 49.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -144.35 149.9 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -107.06 158.52 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.77 157.03 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.3 mttm -158.75 160.65 29.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.82 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.317 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -130.87 93.42 31.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 141.69 45.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.99 144.82 25.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.21 153.82 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.31 126.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -122.83 119.17 29.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.8 p -148.97 131.36 15.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' HD2' ' CE1' ' A' ' 94' ' ' TYR . 58.0 tttm -98.04 85.39 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.52 54.04 5.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.45 41.57 97.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.15 145.58 10.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.94 2.09 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.74 174.75 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.72 80.65 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.6 p -51.5 -46.04 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.65 -41.1 5.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 71' ' ' HIS . 18.7 t -83.07 143.17 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.43 ' N ' HG12 ' A' ' 70' ' ' VAL . 5.5 t-80 -124.21 106.64 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 118.34 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -101.24 98.07 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 m -95.7 128.49 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -130.81 149.74 52.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -19.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -87.9 -63.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -149.1 162.66 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -101.03 152.14 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.73 136.82 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 20.6 t80 -119.21 130.8 55.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -133.64 152.41 51.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.692 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 95.0 t -142.74 116.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 83' ' ' VAL . 9.4 ttt180 -36.87 -67.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -132.99 128.84 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.31 160.61 32.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -163.28 140.03 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . 57.6 mtm-85 -36.41 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.5 t -61.65 -54.32 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.31 -37.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 p -43.68 111.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.46 -150.4 6.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.42 ' HG2' ' CG2' ' A' ' 108' ' ' THR . 15.9 tt0 -133.23 109.14 9.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.443 ' CE1' ' HD2' ' A' ' 60' ' ' LYS . 2.9 m-85 -87.26 157.89 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -132.54 134.78 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.12 111.45 14.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 m -126.5 128.15 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.8 114.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -93.72 118.44 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 101' ' ' GLU . 9.1 mm -114.6 160.37 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 100' ' ' ILE . 5.1 mm-40 -30.77 -55.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.86 -30.48 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.453 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 85.6 mmm -84.15 162.51 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -159.98 151.91 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.87 154.78 46.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.8 p -135.97 158.74 43.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.15 156.98 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 93' ' ' GLU . 39.2 m -130.23 109.81 11.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.8 mt -94.62 116.81 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.17 131.66 39.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 44' ' ' LEU . 66.7 mt -127.93 134.64 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -120.72 130.2 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.52 126.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.16 137.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -50.73 149.11 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.91 -31.52 11.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -157.81 133.8 6.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.99 64.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.75 150.98 68.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.14 119.78 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.429 ' CG1' HG21 ' A' ' 98' ' ' VAL . 52.7 mt -92.74 91.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -70.96 109.62 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.69 138.91 26.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.76 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -108.52 -6.04 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 10.4 p80 -95.2 -22.9 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -82.72 -36.5 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -42.15 -29.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' THR . 20.5 mm-40 -108.65 138.57 44.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' GLN . 62.3 m -34.8 109.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.58 105.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.4 mm -89.34 118.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -143.81 141.12 30.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -75.7 162.64 28.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.54 150.9 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.36 -35.22 2.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -63.43 166.33 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.08 156.81 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -118.85 145.57 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -149.15 114.52 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.6 mt -128.59 106.49 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.17 95.97 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.99 101.78 13.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 139.98 41.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 9.8 p90 -135.3 162.88 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -128.34 156.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.72 163.52 10.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mtmm -154.77 160.64 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.529 0.68 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.75 -49.09 0.24 Allowed 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.324 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -133.44 103.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.73 67.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 10.2 tt0 -97.25 156.25 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -128.21 129.33 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.79 120.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -113.86 119.67 38.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -135.42 153.96 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -118.24 77.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.44 32.27 34.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.31 54.08 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.31 148.15 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.08 166.14 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -96.83 97.48 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -63.35 -9.74 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m -73.22 -39.05 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -22.77 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.4 142.6 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -119.46 101.98 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.82 102.51 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -88.61 101.11 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.2 m -100.5 107.96 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.9 m -80.54 171.65 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -78.91 -1.42 35.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.55 -37.1 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -144.59 165.31 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 9.2 t -119.82 136.97 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -122.74 148.03 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 27.6 t80 -129.46 130.99 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.6 t80 -136.64 154.35 50.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.546 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 47.4 t -142.67 132.51 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -52.79 -59.93 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -125.32 128.3 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.13 55.92 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.96 166.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -59.26 -33.29 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -60.57 -43.02 97.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.67 -29.52 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 p -52.25 110.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.52 -154.55 9.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -127.66 118.36 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.48 127.21 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.23 114.97 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.9 tp -105.48 117.53 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 m -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.429 HG21 ' CG1' ' A' ' 24' ' ' ILE . 19.3 t -101.25 118.34 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 9.6 tt0 -97.58 119.01 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 101' ' ' GLU . 8.8 mm -111.93 160.25 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 100' ' ' ILE . 46.1 mm-40 -30.8 -55.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -124.82 -32.36 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 49.4 mtp -84.67 167.27 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HE2' ' CG2' ' A' ' 106' ' ' THR . 0.3 OUTLIER -159.74 152.08 20.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -136.57 162.92 31.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.414 ' CG2' ' HE2' ' A' ' 104' ' ' LYS . 10.5 p -141.01 163.9 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.69 156.35 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -127.69 133.63 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.5 mt -121.54 136.09 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -107.92 128.25 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.59 132.53 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -125.13 129.78 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.0 130.43 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 23.8 m -120.28 143.76 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' LYS . 37.6 mt-10 -67.45 136.39 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' GLU . 23.5 mtmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 51' ' ' LYS . 58.8 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.8 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -150.79 132.11 7.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 158.36 57.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 116.37 4.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 4.4 tppt? -124.19 101.74 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.3 mt -82.69 103.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' CZ ' ' HG2' ' A' ' 23' ' ' LYS . 1.5 mpt_? -81.75 130.49 35.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.38 138.41 23.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 54.0 Cg_endo -69.73 -170.11 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.92 -2.03 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.527 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 20.9 p-80 -102.81 -8.98 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 33.4 mt -107.99 -2.76 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.43 -42.78 82.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.08 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -165.11 135.65 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CE2' HD21 ' A' ' 44' ' ' LEU . 4.7 t80 -83.34 97.63 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -82.51 120.13 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -146.64 143.57 28.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -81.41 148.47 29.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 m -59.73 157.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.55 -49.32 3.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -49.87 143.72 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.48 126.02 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.1 mt -80.08 143.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -149.09 105.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.545 HD21 ' CE2' ' A' ' 34' ' ' TYR . 91.6 mt -119.11 118.27 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.4 92.46 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 t -103.1 101.83 24.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.96 40.1 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -165.48 150.62 9.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.16 162.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.7 159.74 9.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.3 mtmm -156.49 160.82 30.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.74 -45.98 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.382 -0.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 48.4 ttt180 -134.93 93.82 17.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 54.0 Cg_endo -69.75 133.27 25.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -93.31 129.19 39.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 57' ' ' VAL . 94.1 t -97.18 141.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 58' ' ' TRP . 75.5 t -125.45 135.56 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.415 ' N ' HG13 ' A' ' 57' ' ' VAL . 68.4 m95 -121.51 124.21 43.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -142.87 135.15 27.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 14.9 tptp -109.01 96.25 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.93 -33.35 4.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 47.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.64 154.75 4.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.571 0.7 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.0 mt -39.26 146.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -28.84 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p 48.64 34.67 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 p -121.5 -37.01 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -115.1 -22.54 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -89.45 135.99 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -107.05 84.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 82.3 t -86.74 100.77 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -88.67 95.98 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.5 m -100.34 126.86 46.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' ASP . 22.3 p -122.56 142.24 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' SER . 18.0 t0 -36.72 -40.3 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -70.38 -73.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.89 160.6 37.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -99.74 156.11 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.54 128.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 10.8 t80 -117.52 137.2 52.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -150.99 152.98 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 80.6 t -138.07 122.56 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 10.3 tpt180 -34.4 -66.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -132.39 124.33 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.21 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -158.18 141.16 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 5.9 mmm180 -37.23 -34.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -56.88 -54.74 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' SER . 56.2 m-20 -42.47 -46.47 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.1 p -35.7 119.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.03 -148.5 8.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 94' ' ' TYR . 0.2 OUTLIER -132.61 114.34 14.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.3 m-85 -91.01 131.66 36.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -107.79 112.33 24.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.9 tp -103.09 111.54 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -121.37 134.11 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.3 117.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 101' ' ' GLU . 2.9 mm -107.23 160.14 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 100' ' ' ILE . 24.7 mt-10 -31.73 -58.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -124.22 -27.34 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 80.7 mmm -85.85 165.83 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -159.89 140.99 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.71 155.8 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 47.1 p -136.19 153.74 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.62 146.91 25.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 109' ' ' ILE . 94.5 m -115.09 137.46 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 108' ' ' THR . 58.8 mt -131.65 116.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -92.48 121.66 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 94' ' ' TYR . 97.6 mt -113.85 136.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -125.85 127.82 46.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.03 115.11 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 32.0 m -104.12 147.14 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.24 173.22 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 54.4 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 18' ' ' ILE . . . -88.99 -46.92 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 11.7 tp10 -153.66 132.81 7.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.1 63.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 152.62 69.12 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -165.97 110.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' A' ' 107' ' ' ALA . 76.6 mt -82.85 94.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . 4.1 mmm180 -73.93 102.3 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.73 137.37 33.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -98.32 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -81.37 -11.47 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.08 20.41 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -89.83 -36.4 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.89 -72.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -165.67 145.49 6.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -95.06 100.89 12.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 mm -89.17 118.26 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -135.46 159.83 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -91.61 160.85 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.13 144.85 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.06 -39.9 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.51 160.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -87.55 137.29 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 15.2 mt -98.1 144.76 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -149.18 105.45 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 109' ' ' ILE . 1.5 mm? -102.19 99.99 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -95.19 91.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.11 101.86 52.72 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.77 36.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -131.03 152.05 50.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -120.35 156.86 30.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.98 150.98 5.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 2.4 mptp? -141.16 159.33 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.77 -49.22 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.379 -0.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -133.75 101.71 12.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 121.26 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -72.69 132.76 44.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.23 136.18 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -131.47 117.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -102.29 124.15 47.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.8 p -146.0 131.55 18.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -87.17 84.45 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.31 -42.08 3.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.31 41.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.68 155.01 21.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.54 173.95 6.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -112.83 90.38 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -51.53 -17.9 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -53.4 -34.29 57.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -125.05 -27.85 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 70.4 t -86.92 146.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -123.22 116.42 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.1 t -123.8 112.56 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -103.73 97.9 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -92.01 146.64 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -141.47 142.11 33.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.18 -35.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -72.95 -64.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -145.29 166.09 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.55 156.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.59 125.81 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 55.6 t80 -117.06 129.6 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -130.66 156.03 45.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.1 t -145.48 119.15 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' VAL . 39.0 ttt180 -35.68 -68.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -128.12 139.22 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 42' ' ' LEU . . . -99.29 92.89 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.72 150.06 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . 18.0 mmm180 -36.31 -35.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.0 m-20 -39.46 -43.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -39.9 108.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.97 -148.75 5.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -133.17 114.52 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.66 118.66 34.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.44 119.71 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 64.7 tp -101.34 111.48 23.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.89 155.96 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -134.54 122.81 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.21 145.06 24.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.469 ' O ' ' C ' ' A' ' 101' ' ' GLU . 11.2 mm -144.48 160.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 100' ' ' ILE . 5.6 mm-40 -32.9 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -121.99 27.8 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.459 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 48.3 mtp -144.22 163.04 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -157.3 152.65 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.71 157.67 46.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -142.12 156.53 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.414 ' CB ' HD13 ' A' ' 24' ' ' ILE . . . -159.26 167.84 27.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.4 m -129.89 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.425 ' CG2' HD13 ' A' ' 44' ' ' LEU . 67.2 mt -132.48 111.19 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -89.22 121.51 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.1 mt -115.92 134.82 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -130.8 134.31 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.4 t -116.37 123.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.87 139.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.7 132.48 52.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 64.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.823 0.345 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -86.82 -42.46 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 3.6 tp10 -151.39 128.6 5.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.9 68.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.7 65.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.4 tmtm? -160.45 112.89 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 HG22 ' CB ' ' A' ' 107' ' ' ALA . 79.9 mt -84.35 103.44 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -90.21 121.57 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.68 139.34 21.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.468 ' CG ' HD13 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.71 -171.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 0.0 112.352 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -98.4 -5.68 32.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -99.92 -5.15 28.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 27' ' ' PRO . 20.8 mt -102.23 -28.69 12.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 31' ' ' ARG . 14.5 mtp-105 -48.92 -33.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -106.63 149.42 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -41.39 115.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.25 112.29 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.77 118.87 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -146.09 147.13 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -81.92 157.54 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 113' ' ' VAL . 4.8 m -70.87 154.78 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 -43.83 2.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.76 145.67 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.93 132.5 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -99.34 147.28 25.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -146.35 123.19 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 mt -138.6 108.24 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 10.4 p -102.65 105.79 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 96' ' ' LEU . 6.3 t -104.1 101.74 27.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 154.25 68.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 30.8 p90 -154.22 143.0 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -106.37 160.86 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.427 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 143.17 153.58 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.3 mptt -143.61 160.74 49.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.2 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.34 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -133.93 96.11 16.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.76 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -70.43 158.86 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.52 123.69 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.45 121.03 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -102.64 125.39 49.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 p -135.26 151.0 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 11.6 tptm -114.42 81.06 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.94 -39.28 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.64 -36.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 64' ' ' PRO . . . -100.52 165.78 13.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 63' ' ' ALA . 53.4 Cg_endo -69.77 142.76 48.75 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.9 mt -44.59 155.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' A' ' 69' ' ' ARG . 3.3 m-20 -53.66 -27.52 27.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p 46.21 31.59 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -111.17 -40.93 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' NH1' ' CG ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -121.69 -16.77 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -82.83 134.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -112.57 103.27 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.1 t -106.06 131.02 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -108.54 96.79 6.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -91.39 132.96 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.3 t -130.87 138.7 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 p-10 -34.55 -33.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 18.9 m-85 -80.92 -71.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.405 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 2.3 p30 -140.29 157.53 45.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -100.63 160.62 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.31 140.55 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 72.5 t80 -116.99 138.68 51.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -145.05 154.93 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.0 t -146.74 112.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -35.2 -59.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.55 122.71 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.29 164.92 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -161.22 143.42 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' ALA . 36.4 mtp85 -38.06 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.0 t -60.44 -54.04 50.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.1 m-20 -37.75 -47.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 17.3 m -35.87 117.36 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.28 -146.46 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -130.55 108.28 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.0 m-85 -87.82 121.32 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.9 121.93 43.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 107' ' ' ALA . 0.7 OUTLIER -110.7 127.88 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.3 m -133.77 143.09 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.24 130.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.47 ' O ' ' C ' ' A' ' 101' ' ' GLU . 9.2 mm -134.72 160.19 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 100' ' ' ILE . 14.1 mt-10 -32.76 -66.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -126.29 23.01 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 48.2 mtp -139.36 161.0 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -155.52 160.98 40.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -141.68 163.32 33.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.9 p -143.61 151.7 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 24' ' ' ILE . . . -154.51 155.58 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.1 m -123.42 141.98 51.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.4 mt -136.61 136.25 48.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -110.0 123.53 49.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.99 130.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -124.09 131.61 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 38' ' ' VAL . 34.9 t -114.98 143.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.77 141.48 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -57.88 147.28 29.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.14 -53.5 57.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 37.3 tp10 -139.68 136.97 17.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.78 148.66 65.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.422 ' CG ' ' HB3' ' A' ' 103' ' ' MET . 53.6 Cg_endo -69.75 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.226 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.47 120.15 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.97 105.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 6.1 mmm180 -83.89 113.52 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.36 128.02 30.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.599 0.714 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 54.1 Cg_endo -69.73 -165.16 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -104.57 -8.32 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.425 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 12.6 p-80 -89.1 -7.66 55.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 41.0 mt -105.1 -34.62 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -44.36 -45.06 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' THR . 4.8 pp0? -92.82 138.55 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' GLN . 51.0 m -35.2 122.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.37 114.6 6.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.1 mm -104.05 118.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.17 144.44 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -76.84 161.18 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG11 ' CG1' ' A' ' 113' ' ' VAL . 3.9 m -74.28 154.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.07 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.08 171.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -96.11 140.58 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 47.4 mt -96.9 148.19 23.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 4.8 p-10 -148.16 109.58 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -129.62 108.58 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -110.76 94.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.34 101.78 14.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 160.41 49.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -154.36 156.6 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -112.89 173.43 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.42 163.88 10.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 18.5 mtmm -159.39 160.22 28.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.69 -49.27 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.373 -0.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 16.5 mtm105 -133.82 95.73 17.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.73 124.6 11.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -72.58 139.28 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 57' ' ' VAL . 91.1 t -107.94 142.74 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.445 ' N ' HG11 ' A' ' 56' ' ' VAL . 95.4 t -131.52 125.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -112.54 120.27 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.3 p -140.1 135.89 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -111.51 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.85 3.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.31 44.57 84.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.36 147.87 3.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.718 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.52 63.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.47 158.23 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.68 -28.24 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 p 48.04 41.39 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -131.84 -39.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -117.39 -18.96 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -89.33 137.91 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -117.51 108.33 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -126.88 114.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -95.33 102.56 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.7 m -87.9 127.71 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -114.92 154.55 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.64 -8.0 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -108.02 -49.59 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -145.95 165.96 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -119.35 130.03 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -115.08 136.71 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 19.4 t80 -124.62 137.71 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -147.58 157.54 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 61.6 t -146.68 121.27 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -41.0 -60.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -124.47 130.06 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -96.59 81.18 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -77.45 144.69 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 37.0 mtp180 -37.37 -32.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' ALA . 46.3 t -54.33 -57.08 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.3 m-20 -36.54 -38.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASP . 25.2 p -38.11 117.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.71 -148.8 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -133.59 112.34 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.417 ' CD1' HD13 ' A' ' 111' ' ' ILE . 3.4 m-85 -91.07 115.31 27.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -102.63 116.9 33.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.9 tt -103.97 123.62 47.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 m -129.4 123.15 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.02 114.89 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.39 134.84 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 15.3 mm -126.32 159.65 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' ILE . 25.2 mt-10 -34.15 -47.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -130.76 -31.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.422 ' HB3' ' CG ' ' A' ' 22' ' ' PRO . 84.5 mmm -84.49 166.92 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -159.63 148.67 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -135.18 160.24 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 p -145.11 147.77 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.21 154.1 34.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 109' ' ' ILE . 88.1 m -123.82 140.3 53.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.46 ' N ' HG22 ' A' ' 108' ' ' THR . 88.7 mt -131.99 134.22 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -110.08 128.69 55.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.417 HD13 ' CD1' ' A' ' 94' ' ' TYR . 89.2 mt -121.26 137.67 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.38 133.21 47.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.434 ' CG1' HG11 ' A' ' 38' ' ' VAL . 53.9 t -114.18 131.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.4 m -111.41 129.27 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.59 130.62 46.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' C ' ' A' ' 51' ' ' LYS . . . -81.07 -45.06 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 34.6 tt0 -164.39 137.64 4.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.81 148.28 64.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.7 165.64 30.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -173.04 105.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.7 mt -78.57 107.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.621 HH11 ' NE2' ' A' ' 49' ' ' GLN . 44.9 mmm-85 -95.5 80.07 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -49.88 141.62 14.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.76 -164.58 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -114.59 -0.86 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 8.4 p80 -97.43 -30.55 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 44' ' ' LEU . 18.8 mt -79.67 -34.09 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 16.5 mtp-105 -40.72 -37.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 15.6 pt20 -101.87 140.06 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 3.5 m -35.41 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.49 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 mm -89.29 120.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.31 148.53 29.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.08 161.01 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 87' ' ' ALA . 7.1 p -73.69 143.83 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 38' ' ' VAL . . . 76.86 -10.69 17.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -72.73 148.55 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.51 132.66 48.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 44.7 mt -99.56 144.95 28.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -146.82 106.92 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 30' ' ' LEU . 73.1 mt -127.89 104.08 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.82 97.42 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 t -100.76 102.19 18.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.742 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.58 57.66 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -140.02 141.58 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.621 ' NE2' HH11 ' A' ' 25' ' ' ARG . 20.5 mt-30 -101.53 170.31 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.7 162.5 10.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 42.4 mttt -157.7 157.58 29.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.77 -51.02 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.339 -0.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -135.09 94.48 15.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 127.26 14.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.01 136.62 50.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 57' ' ' VAL . 62.5 t -111.24 139.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' N ' HG11 ' A' ' 56' ' ' VAL . 43.0 t -128.7 134.22 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.446 ' CZ2' ' CD1' ' A' ' 96' ' ' LEU . 58.4 m95 -117.48 132.19 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 p -139.8 150.17 44.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 27.4 tptp -113.67 89.99 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.83 38.88 76.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 50.09 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.61 156.19 4.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 158.58 56.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -96.22 177.01 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' THR . 3.6 m-20 -114.06 77.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' ASP . 63.0 p -37.21 -37.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -43.85 -47.03 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.37 132.59 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -116.14 87.12 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.55 127.2 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -101.04 154.59 18.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -133.17 121.3 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -120.1 135.14 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.63 -40.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -70.86 -59.44 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -151.3 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.2 t -99.94 154.1 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.01 134.56 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 1.2 t80 -116.9 129.28 55.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -143.23 154.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 73.0 t -141.54 134.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.06 -43.65 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -147.41 123.45 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -94.57 89.79 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 38' ' ' VAL . . . -80.34 153.09 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' ALA . 53.7 mtm-85 -37.05 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ALA . 48.1 t -69.97 -51.79 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -43.11 -35.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -57.9 140.72 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.81 -139.64 5.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.32 119.61 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.576 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.7 m-85 -97.85 150.27 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -133.36 116.52 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' CD1' ' CZ2' ' A' ' 58' ' ' TRP . 5.4 tt -106.55 115.28 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.8 m -120.77 125.92 48.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.4 t -92.65 112.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -95.28 129.93 42.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 101' ' ' GLU . 13.1 mt -133.92 160.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 12.9 mt-10 -26.2 -68.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -119.1 -17.88 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.48 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 92.9 mmm -91.86 156.79 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -154.89 159.1 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.466 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 6.3 t0 -149.68 158.39 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.7 p -143.94 158.67 43.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.13 161.13 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -130.39 151.69 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.6 mt -141.59 136.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -104.54 125.53 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mt -126.99 126.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -122.78 129.55 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.3 t -107.99 120.71 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.89 144.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.33 125.18 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 19' ' ' ALA . 84.4 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 18' ' ' ILE . . . -104.6 -37.64 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -152.72 134.25 8.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.65 63.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.5 Cg_endo -69.82 136.54 33.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 105.22 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.403 ' CG1' HG21 ' A' ' 98' ' ' VAL . 26.3 mt -84.07 97.3 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.6 mmm180 -81.91 123.58 28.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 30' ' ' LEU . 14.1 mt -109.1 131.28 21.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 53.7 Cg_endo -69.79 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -82.8 -45.21 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 19.1 p-80 -54.3 -18.37 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 44' ' ' LEU . 12.7 mt -93.1 -45.01 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' LEU . 40.5 mtm180 -34.7 -40.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -98.62 167.1 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 m -60.25 104.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.84 115.83 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -98.5 125.37 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -146.14 154.33 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -92.19 159.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.93 143.29 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.25 -36.53 2.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.64 142.32 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.23 157.95 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.85 142.23 47.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.18 105.0 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 30' ' ' LEU . 70.9 mt -127.6 104.35 7.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 p -99.14 105.39 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.3 t -103.07 103.45 34.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.79 61.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 56' ' ' VAL . 24.6 p90 -142.32 143.74 32.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -114.32 155.14 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.97 157.93 8.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 9.2 mttm -147.78 160.78 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.81 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -131.64 95.99 21.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.78 136.26 32.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.291 . . . . 0.0 112.359 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -79.61 151.27 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' CE2' ' A' ' 48' ' ' PHE . 80.1 t -125.38 125.33 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.2 t -123.81 124.29 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -111.95 118.35 35.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 p -140.83 154.18 46.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.54 89.4 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 35.98 60.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.69 10.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.91 144.53 16.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 162.39 42.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.65 172.8 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' SER . 55.6 m-20 -104.47 76.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . 66.1 p -36.86 -31.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASP . 38.2 t -48.21 -50.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.69 -34.34 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.9 118.46 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -105.96 118.75 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.9 119.45 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 96.4 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 m -105.16 117.75 34.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -119.72 179.86 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.85 7.13 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -120.52 -60.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 11.3 p-10 -146.36 165.56 28.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -119.26 142.58 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.93 154.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 63.6 t80 -118.48 129.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.4 ' C ' HG22 ' A' ' 83' ' ' VAL . 82.3 t80 -131.06 151.88 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 75.5 t -147.41 127.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -55.54 -51.42 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -139.77 126.42 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.98 92.36 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.29 141.37 28.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ALA . 55.3 mtp85 -35.6 -40.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.1 m -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -40.09 -47.2 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.7 p -42.53 109.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.33 -144.97 4.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.39 103.5 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -88.01 120.57 29.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -106.27 118.68 37.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.6 tp -101.92 114.97 29.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.07 153.45 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.403 HG21 ' CG1' ' A' ' 24' ' ' ILE . 48.1 t -128.07 108.87 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -90.19 120.76 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 101' ' ' GLU . 6.1 mm -118.25 160.32 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 100' ' ' ILE . 6.8 mm-40 -31.36 -59.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -125.93 -21.32 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.459 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 56.1 mmm -90.95 166.17 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 105' ' ' ASP . 1.9 tmtm? -159.85 152.25 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.458 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 8.2 t0 -143.87 164.63 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -146.57 165.47 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -161.75 157.87 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.4 m -130.62 131.03 44.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.69 122.17 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -104.3 122.51 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 92.0 mt -113.65 151.91 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -135.67 131.68 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -112.1 124.89 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 m -108.05 140.28 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.69 152.87 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.7 pttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.8 -49.99 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -135.88 130.76 18.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.54 69.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.78 134.16 27.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -149.12 113.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.411 HG23 ' CD2' ' A' ' 96' ' ' LEU . 60.8 mt -87.35 95.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -78.91 95.27 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.22 141.05 53.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.457 ' CG ' HD11 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -113.18 -13.0 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -88.03 -15.17 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 27' ' ' PRO . 96.0 mt -96.33 -36.39 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' LEU . 79.6 mtt-85 -38.07 -45.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' THR . 11.5 pt20 -87.61 146.35 25.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' GLN . 17.9 m -35.6 110.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -71.26 113.0 7.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.33 131.22 48.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -145.3 148.34 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -89.13 158.22 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.43 142.26 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.16 -45.65 3.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.49 133.56 40.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.7 162.53 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.15 145.09 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -148.42 108.75 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.21 105.59 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.95 91.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.27 101.78 43.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 154.76 67.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.25 160.66 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -122.09 166.67 14.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.94 152.42 5.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mttt -149.48 160.49 34.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.717 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.77 -49.13 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.393 -0.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttp-105 -132.16 95.92 20.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.73 122.67 9.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -64.37 152.59 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -129.69 126.63 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 58' ' ' TRP . 93.4 t -123.71 141.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' N ' HG12 ' A' ' 57' ' ' VAL . 34.3 m95 -127.68 118.73 24.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.4 p -145.35 134.84 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -107.06 80.17 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.87 50.94 3.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.26 62.93 5.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.39 145.49 1.49 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.45 3.7 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.5 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 3.1 p30 -112.41 83.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.4 p -48.82 -32.69 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.5 m -41.67 -51.48 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' NE ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -98.25 -40.39 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -82.53 125.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -107.61 85.09 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.4 t -86.36 108.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -90.64 97.03 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -94.42 124.3 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.95 143.72 37.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.04 -35.57 11.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 17.3 p90 -81.82 -53.01 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.53 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 39.5 p30 -136.35 166.57 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -113.75 132.68 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.84 139.63 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 26.4 t80 -121.73 130.69 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -135.2 150.61 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 95.5 t -142.36 121.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' VAL . 8.7 ttt85 -36.03 -58.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -135.66 138.3 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.01 73.51 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.67 166.99 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.442 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.2 mtm105 -70.7 -24.84 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -72.15 -23.8 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.47 -38.0 65.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -41.75 140.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.22 -151.05 18.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.34 104.71 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 109' ' ' ILE . 5.3 m-85 -87.19 120.11 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -102.32 119.13 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.411 ' CD2' HG23 ' A' ' 24' ' ' ILE . 27.7 tp -99.79 119.35 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.78 167.04 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.1 t -145.61 108.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -90.95 131.85 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 101' ' ' GLU . 3.8 mm -123.44 160.53 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 100' ' ' ILE . 4.0 mm-40 -29.7 -49.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -132.55 -33.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 40.1 mtp -84.97 166.26 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -159.79 151.42 20.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.75 158.24 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 p -140.2 161.22 38.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.6 158.59 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 109' ' ' ILE . 54.7 m -129.71 139.71 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' TYR . 80.9 mt -130.02 138.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -109.43 127.81 54.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.1 mt -125.63 132.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.16 127.53 43.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.02 131.17 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.48 135.62 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' LYS . 12.2 mt-10 -61.68 121.79 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLU . 10.6 ptpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 103' ' ' MET . 87.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.329 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 -32.16 34.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -163.32 133.63 3.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.22 69.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 154.78 67.48 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HE2' ' CZ ' ' A' ' 25' ' ' ARG . 5.4 tptm -164.08 115.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.5 mt -86.78 105.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CZ ' ' HE2' ' A' ' 23' ' ' LYS . 2.0 mmp_? -89.86 87.99 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.36 139.11 22.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.542 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.74 151.46 69.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -67.06 -12.98 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 6.1 p-80 -87.61 -6.25 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 14.4 mt -107.06 -35.28 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.09 -40.99 78.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.27 -75.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 89.3 m -167.15 163.72 15.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 33' ' ' THR . 2.6 t80 -127.55 110.55 12.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 2.7 mm -99.78 125.7 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.96 138.85 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -67.63 166.0 15.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 113' ' ' VAL . 42.5 t -77.45 148.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.45 -37.35 3.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.8 145.59 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -75.12 130.83 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -145.41 106.5 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.0 mt -114.9 102.36 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -100.08 97.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.01 101.66 22.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 16.5 p90 -132.52 141.98 48.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.569 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 4.2 mp0 -104.79 171.13 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.16 167.96 12.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.4 mttt -154.36 160.07 31.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 -43.91 0.56 Allowed 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.351 -0.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -139.43 105.04 7.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.81 155.89 64.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -97.51 159.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.34 130.55 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.54 120.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -112.82 120.36 41.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 p -141.99 135.87 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.4 ' HG2' ' CE1' ' A' ' 94' ' ' TYR . 15.3 mtpt -85.23 36.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.2 40.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.75 64.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.78 146.46 1.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.524 0.678 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.26 20.92 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.57 148.98 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.02 103.31 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.9 p -77.33 48.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -129.74 -32.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -120.29 -23.53 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.9 t -88.12 138.22 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -123.51 82.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.6 t -88.31 120.43 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -108.75 95.95 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -86.59 126.34 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -113.92 137.69 51.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -39.96 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' SER . 46.8 m-85 -82.17 -59.69 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 13.7 p-10 -147.33 163.67 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -97.83 142.23 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.07 134.36 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.3 t80 -120.94 132.03 54.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -137.99 151.7 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 85.5 t -137.94 123.1 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -36.46 -64.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.68 129.81 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.08 108.31 5.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.69 141.66 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -45.09 -23.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -72.97 -46.36 52.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 -35.27 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 m -46.73 108.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.72 -149.83 5.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 13.2 tt0 -128.19 112.01 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 4.8 m-85 -91.86 117.91 30.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.37 110.35 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.41 121.47 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m -129.12 143.75 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.01 110.38 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.02 117.29 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 8.5 mm -111.11 160.06 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 100' ' ' ILE . 36.7 mm-40 -32.32 -53.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -126.76 -27.47 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.462 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 86.4 mmm -86.49 162.81 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.65 162.16 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.8 p -143.84 163.21 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.01 160.57 27.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.495 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 72.2 m -130.37 121.49 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.419 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 73.5 mt -108.76 155.73 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -129.37 121.39 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 112' ' ' ARG . 84.0 mt -118.32 138.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.435 ' N ' HG21 ' A' ' 111' ' ' ILE . 36.1 ttt180 -134.15 133.43 41.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG1' HG21 ' A' ' 38' ' ' VAL . 50.4 t -116.37 151.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.4 m -137.64 153.47 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.58 129.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -147.54 111.0 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -100.45 169.45 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.2 139.45 13.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -172.89 148.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -110.77 161.4 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 157.28 8.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -147.48 164.7 32.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.336 . . . . 0.0 111.194 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.96 124.2 49.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.26 123.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -46.4 140.89 5.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.98 17.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.635 2.223 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.0 116.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.9 m -98.93 118.57 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.9 mt -154.2 136.43 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -52.77 145.26 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -110.83 150.56 28.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 21.7 mt -75.72 148.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 -48.54 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -147.52 133.32 9.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.731 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.68 69.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.42 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.5 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.06 118.37 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.65 94.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -71.92 102.7 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -91.96 124.81 59.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.631 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.77 166.21 28.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -73.63 -23.47 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 27' ' ' PRO . 22.7 p80 -78.21 -8.48 58.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HG ' ' CE1' ' A' ' 29' ' ' HIS . 20.6 mt -107.93 -11.18 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -83.65 28.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -161.39 143.72 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -37.72 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.72 99.35 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -85.19 121.34 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -142.13 167.47 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -100.1 164.36 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.41 147.04 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.99 -39.43 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -54.22 158.72 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -88.86 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.19 146.98 25.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -148.17 105.75 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.5 mt -124.29 121.14 34.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -116.53 96.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 t -102.83 101.78 23.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.625 0.726 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.13 41.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -129.68 140.52 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.0 159.97 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.93 170.69 13.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 32.7 mtmt -157.1 159.77 30.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.79 0.25 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.333 -0.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 94.25 19.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 54.2 Cg_endo -69.79 124.03 10.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.98 153.43 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.95 114.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 58' ' ' TRP . 61.4 t -107.11 136.56 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 59.4 m95 -121.4 126.78 50.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 p -142.67 149.28 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.516 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 18.2 tptm -116.03 83.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.86 -23.84 29.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.4 -21.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.99 146.84 34.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.64 67.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.27 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.33 140.72 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.4 p 45.21 36.72 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -122.38 -37.98 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -116.76 -18.2 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.23 142.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.53 98.55 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.41 110.49 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -104.27 95.98 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.3 m -91.49 127.67 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.6 t -116.01 136.46 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' SER . 9.8 t70 -34.49 -41.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.76 -61.71 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -147.65 165.1 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.4 ' C ' HG21 ' A' ' 80' ' ' VAL . 12.2 t -99.28 157.93 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.4 HG21 ' C ' ' A' ' 79' ' ' THR . 61.3 t -138.99 134.79 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -119.45 132.81 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -145.67 156.47 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 47.6 t -145.62 134.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' N ' HG11 ' A' ' 83' ' ' VAL . 21.7 ttm180 -51.12 -57.45 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -135.03 124.75 25.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.49 92.18 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.47 143.25 42.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -45.44 -28.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 90' ' ' ASP . 47.8 m -63.48 -54.56 34.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.7 m-20 -36.11 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.6 p -40.42 109.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' HA3' ' CE ' ' A' ' 60' ' ' LYS . . . -169.33 -139.31 2.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -133.52 123.1 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.549 ' CE1' HD12 ' A' ' 111' ' ' ILE . 3.4 m-85 -102.09 117.58 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -100.04 122.4 42.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD12 ' CZ2' ' A' ' 58' ' ' TRP . 1.4 tt -110.84 120.28 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 m -122.32 137.17 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.31 122.21 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -93.08 136.4 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 101' ' ' GLU . 10.6 mm -136.52 160.17 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 100' ' ' ILE . 32.9 mm-40 -33.12 -67.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.41 18.99 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 24.9 mtp -132.63 160.52 36.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -154.86 151.32 28.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.8 p -138.12 161.09 37.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.05 152.17 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.8 m -118.56 149.49 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.9 mt -140.76 125.5 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -95.28 127.69 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.549 HD12 ' CE1' ' A' ' 94' ' ' TYR . 66.7 mt -126.26 127.29 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -123.97 131.85 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.0 t -116.05 129.16 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.3 m -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.37 131.51 42.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -50.71 147.18 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.49 153.41 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -141.6 129.06 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -159.47 170.8 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.31 166.24 39.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p -169.99 176.64 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -163.12 173.73 13.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.51 151.61 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -133.8 172.41 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -129.04 114.14 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.48 106.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.8 144.18 28.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 168.94 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.4 116.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -95.59 134.51 38.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -121.49 146.64 26.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.28 149.7 49.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.68 155.9 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 42.9 mt -66.41 122.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.9 70.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -141.57 135.71 14.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.756 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 147.98 63.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.403 ' CG ' HG13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 148.47 65.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -159.68 114.08 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.31 96.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.21 111.65 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.74 143.14 25.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.73 -165.65 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -116.42 3.15 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.8 p80 -106.72 -24.1 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -82.28 -32.59 29.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -44.85 -46.62 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 17.9 mt-30 -83.1 142.76 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 8.3 m -35.61 112.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.94 118.71 10.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -103.43 120.72 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -141.14 146.67 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -80.14 158.5 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.77 143.53 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.14 -26.11 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.18 144.01 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -73.26 134.33 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -91.22 148.4 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -148.33 112.4 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' ' 81' ' ' PHE . 23.1 mt -127.4 111.61 14.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -107.82 96.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.25 101.6 17.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.61 45.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.2 p90 -156.94 168.45 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -132.82 152.32 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.16 169.04 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.1 mtmt -162.45 161.2 20.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.81 -46.86 0.34 Allowed 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.321 -0.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -133.64 94.07 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.3 Cg_endo -69.78 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.03 142.57 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.2 t -118.38 117.51 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 58' ' ' TRP . 92.5 t -111.01 137.25 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.547 ' CZ2' HD13 ' A' ' 96' ' ' LEU . 58.1 m95 -119.42 126.41 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -127.74 131.12 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -102.8 81.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.48 34.16 17.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.23 8.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.31 154.25 3.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.03 66.78 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.85 171.16 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.7 m-20 -99.68 82.16 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.8 p -38.9 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' ASP . 7.6 t -51.47 -47.25 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -104.88 -24.18 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -89.82 135.51 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -118.27 111.97 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.64 122.05 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -98.99 95.86 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 m -92.69 123.44 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t -120.86 144.07 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.62 -36.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.19 -66.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.436 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.9 p30 -143.13 166.05 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -110.42 155.52 22.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.9 t -136.79 153.04 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.543 ' CE1' HG22 ' A' ' 83' ' ' VAL . 16.0 t80 -132.01 129.83 40.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -138.4 158.14 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' A' ' 81' ' ' PHE . 69.2 t -143.15 143.62 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 16.4 ttm105 -56.09 -55.55 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.51 138.72 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.29 89.38 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.73 145.53 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -48.59 -19.43 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -77.43 -37.51 51.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.75 -37.61 63.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -40.68 107.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.13 -146.78 4.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -133.21 110.23 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.56 ' CE1' HD13 ' A' ' 111' ' ' ILE . 4.5 m-85 -90.01 120.24 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -107.51 108.97 20.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.547 HD13 ' CZ2' ' A' ' 58' ' ' TRP . 1.4 tt -95.92 121.66 37.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.5 m -125.65 129.25 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.86 109.37 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.45 121.97 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 101' ' ' GLU . 20.8 mm -112.98 160.66 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 100' ' ' ILE . 14.2 mt-10 -30.85 -60.22 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -118.66 -33.17 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 66.3 mtp -84.78 167.76 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 16.9 tttt -156.21 151.1 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 4.7 t70 -135.25 155.68 50.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.0 p -139.09 148.05 42.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.86 143.78 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -113.6 142.33 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' TYR . 44.7 mt -131.0 135.63 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -106.28 134.36 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.56 HD13 ' CE1' ' A' ' 94' ' ' TYR . 85.9 mt -133.7 142.16 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -136.34 140.43 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.54 139.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.8 m -122.43 163.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -80.61 161.2 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -78.17 128.64 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -83.05 46.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -165.52 135.01 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 p -173.57 169.37 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.7 137.2 2.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -154.73 115.65 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -151.75 172.1 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.49 91.44 2.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 t -136.46 126.75 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.11 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.96 116.35 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.33 128.42 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -86.78 149.13 47.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.42 17.51 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 p -79.48 8.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -52.24 91.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 16' ' ' ARG . 15.7 mt -126.66 138.02 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' N ' HG23 ' A' ' 15' ' ' ILE . 38.8 mtt180 -87.43 31.05 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -93.37 143.85 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.1 mt -63.92 136.34 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.43 -42.58 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -146.39 132.25 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.4 Cg_endo -69.77 146.7 60.91 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -159.02 111.52 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 29.3 mt -84.35 95.18 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -81.25 103.58 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.12 135.22 37.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.81 -175.13 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -90.07 -10.56 44.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 6.7 p80 -96.07 -2.21 47.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.2 mt -118.45 12.37 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -80.64 -36.91 31.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -110.6 168.37 9.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 m -47.36 118.86 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -73.23 115.93 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mm -92.81 128.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -149.43 168.64 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -106.3 153.71 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 87' ' ' ALA . 10.5 p -69.81 144.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 38' ' ' VAL . . . 76.75 -11.36 14.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -83.22 143.14 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -60.09 147.67 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 86' ' ' ALA . 20.1 mt -107.78 147.19 31.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -149.03 106.28 3.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.518 HD11 ' CD1' ' A' ' 81' ' ' PHE . 35.4 mt -124.13 108.23 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 99.61 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -109.25 101.72 46.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.46 40.12 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -130.22 159.14 37.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -122.22 166.39 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.26 159.15 8.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.5 mttm -149.39 159.29 36.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -47.94 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.323 -0.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -132.24 99.34 16.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.86 22.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -84.04 140.68 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -117.24 129.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.49 131.61 72.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.48 ' CZ2' HD21 ' A' ' 96' ' ' LEU . 83.9 m95 -113.72 118.98 35.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 p -127.38 125.81 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.1 tmtt? -104.07 90.22 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 48.11 7.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.48 48.49 84.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.56 149.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.73 20.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 60' ' ' LYS . 1.8 mt -102.27 175.74 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' SER . 6.5 m-20 -108.26 86.84 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.3 p -40.02 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' ASP . 47.7 t -54.69 -45.53 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -99.26 -36.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 71' ' ' HIS . 18.6 t -88.08 145.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.433 ' N ' HG12 ' A' ' 70' ' ' VAL . 25.1 m-70 -126.87 84.67 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.3 t -92.67 116.89 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.48 97.27 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -87.05 136.38 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 t -125.92 142.43 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.37 -58.61 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.41 165.09 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 t -97.79 144.49 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.22 132.82 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CD1' HD11 ' A' ' 44' ' ' LEU . 19.6 t80 -117.18 129.45 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CD1' ' N ' ' A' ' 83' ' ' VAL . 2.0 t80 -140.24 154.21 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.621 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 35.3 t -145.49 135.21 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -54.98 -52.4 63.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -140.83 122.61 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.425 ' CB ' HD13 ' A' ' 42' ' ' LEU . . . -95.17 84.5 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.14 145.12 48.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ALA . 65.0 mtp85 -33.89 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 65.1 p -60.54 -49.1 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 87' ' ' ALA . 7.3 t70 -45.9 -38.19 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -43.52 136.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.55 -144.55 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -130.52 115.11 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' A' ' 111' ' ' ILE . 3.0 m-85 -92.87 118.98 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -90.79 113.28 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 HD21 ' CZ2' ' A' ' 58' ' ' TRP . 2.3 tm? -99.66 114.88 28.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.8 m -130.25 137.56 50.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.412 HG22 ' CG1' ' A' ' 24' ' ' ILE . 13.7 t -105.51 114.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -93.08 115.78 28.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 101' ' ' GLU . 3.2 mm -109.01 159.95 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 100' ' ' ILE . 22.5 mt-10 -33.92 -52.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -125.48 -28.95 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.6 mmm -86.08 161.98 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.39 130.72 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.04 164.54 15.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 p -141.16 161.24 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -164.63 155.3 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 109' ' ' ILE . 77.2 m -123.58 141.45 51.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 108' ' ' THR . 38.7 mt -132.49 139.2 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -112.09 126.06 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' A' ' 94' ' ' TYR . 74.9 mt -120.89 128.8 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.97 124.38 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.54 131.02 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 4.4 pt-20 -69.91 122.85 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -54.8 121.52 8.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.07 178.69 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.447 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m 52.53 42.43 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -157.81 135.33 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.85 129.02 2.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -174.87 121.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -166.87 117.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.54 -34.94 2.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -55.5 168.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.176 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.73 10.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.1 143.7 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -143.58 143.22 22.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -173.1 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.298 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.72 67.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 t -165.51 147.88 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ARG . 3.8 mp -124.44 151.65 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -37.23 138.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.19 144.56 29.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.6 mt -77.55 127.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.51 94.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' N ' ' HB2' ' A' ' 51' ' ' LYS . 20.9 tt0 -155.2 134.46 7.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.698 0.761 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.79 68.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.236 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.72 149.57 67.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -165.16 121.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.2 mt -95.78 96.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -74.95 97.5 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.17 137.33 32.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.83 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -104.62 -10.24 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -92.99 -8.51 42.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -97.12 -37.58 10.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 15.1 mtp-105 -38.63 -49.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -86.69 152.52 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 m -45.99 120.19 2.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -72.92 107.96 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.1 mm -98.72 126.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -145.37 153.56 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HD2' ' CB ' ' A' ' 116' ' ' LYS . 35.3 mtmt -84.63 152.66 23.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 39' ' ' GLY . 32.9 t -61.97 154.73 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' A' ' 38' ' ' VAL . . . 83.44 -46.69 3.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.05 156.09 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -80.88 154.48 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 58.2 mt -110.31 102.25 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -104.07 119.48 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.78 102.13 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.58 95.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.42 101.77 14.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 138.65 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.1 p90 -137.08 149.06 47.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -118.27 154.83 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.4 165.08 15.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 31.8 mmtp -155.72 153.14 25.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.709 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.78 -50.79 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.305 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -134.76 96.79 14.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 122.47 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.63 148.12 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 57' ' ' VAL . 90.1 t -116.65 137.84 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' N ' HG13 ' A' ' 56' ' ' VAL . 88.0 t -122.81 120.44 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -110.68 118.24 35.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 p -158.87 122.27 3.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 129.53 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.04 -9.38 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.04 35.5 3.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.69 146.57 20.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.66 4.2 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 70' ' ' VAL . 8.2 mp -45.52 154.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.72 -13.38 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p 44.54 39.22 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -120.7 -36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -116.21 -23.23 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 65' ' ' LEU . 93.3 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -93.21 100.95 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.0 t -107.11 111.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 4.5 mmm180 -96.86 96.29 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 m -83.37 108.8 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -112.52 134.48 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.4 m-85 -83.05 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 7.3 p-10 -151.04 165.74 32.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -100.75 156.3 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 81' ' ' PHE . 52.9 t -138.54 136.77 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.2 t80 -121.71 129.61 52.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -132.82 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 9.6 t -146.54 128.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.49 -61.13 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -133.67 126.87 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.82 85.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.01 136.67 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -41.62 -33.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -56.57 -51.8 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' SER . 27.8 t70 -44.19 -41.26 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' ASP . 26.4 p -36.19 119.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.61 -156.2 16.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.53 109.55 13.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -89.51 120.68 31.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -108.04 111.26 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 tp -95.69 118.04 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.77 125.37 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.1 t -96.34 106.74 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.29 126.31 35.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 9.4 mm -120.86 159.97 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 100' ' ' ILE . 27.7 mm-40 -33.17 -49.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.73 -31.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.406 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 88.6 mmm -84.01 165.57 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 ttpt -159.74 151.57 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 1.4 m-20 -142.82 159.91 41.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -140.71 163.6 32.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.13 161.28 28.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 109' ' ' ILE . 86.8 m -128.26 137.9 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.426 ' N ' HG22 ' A' ' 108' ' ' THR . 45.1 mt -133.44 116.81 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 17.3 mtm105 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -117.98 129.2 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -126.73 130.54 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.53 124.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.72 140.7 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.28 143.37 55.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.409 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -94.26 55.94 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.7 156.05 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -129.24 150.47 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -150.15 138.37 20.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.26 153.35 6.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -110.02 101.48 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -86.36 49.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.24 86.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.1 101.34 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 111.118 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.7 tp -162.24 112.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.14 85.04 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -57.34 117.26 17.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -178.3 2.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.645 2.23 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.22 84.38 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.1 m -77.65 147.72 35.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mm -99.65 149.46 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.33 158.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.31 149.11 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.8 mt -76.62 138.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.1 -53.69 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.1 tp10 -138.67 132.09 16.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.13 64.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 116.25 4.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.26 118.93 27.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.4 mt -90.07 107.36 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -88.81 108.93 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 30' ' ' LEU . 7.6 mt -100.25 133.66 21.31 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' CG ' HD11 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.77 -168.76 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -95.37 -40.09 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -60.02 -17.89 42.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 26' ' ' LEU . 14.7 mt -90.15 -49.29 6.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.7 mtp85 -33.96 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . 33.7 mt-30 -100.25 161.11 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -52.49 120.84 6.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -74.06 100.6 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.33 125.43 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -147.92 143.32 27.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 116' ' ' LYS . 32.0 mtpt -78.6 154.08 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.2 148.66 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.49 -39.38 2.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -57.28 150.38 18.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -73.45 147.89 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.1 mt -104.22 143.36 33.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -147.3 112.26 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -130.77 113.78 14.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.78 94.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -100.06 101.76 15.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.53 60.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -141.53 155.33 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -120.05 174.26 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.6 162.93 10.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 25.9 mttt -155.71 160.81 30.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.79 -48.45 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -134.29 97.41 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.2 Cg_endo -69.83 141.37 44.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -96.64 135.04 39.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.5 t -100.72 153.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.19 121.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -108.65 126.66 53.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 p -155.54 142.05 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -101.49 81.73 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.08 -43.18 2.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.73 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.1 147.38 19.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.87 13.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.7 mt -44.54 151.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.91 -31.26 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p 50.22 32.51 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -118.69 -40.2 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -116.51 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.54 128.01 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.2 110.4 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 p -128.58 127.29 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -119.17 102.09 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.6 m -82.77 127.6 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -101.45 -177.57 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -20.62 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -105.98 -49.86 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 14.5 p30 -141.88 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -107.6 163.78 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -137.83 132.01 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 7.0 t80 -121.28 129.95 53.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.88 153.76 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 21.6 t -139.79 132.94 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -51.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -129.81 126.51 38.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.3 102.0 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 139.47 30.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -42.87 -38.29 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -56.06 -45.79 79.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 3.4 m-20 -39.84 -42.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' ASP . 98.4 p -37.21 119.1 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.98 -149.77 7.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -131.73 111.73 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -88.15 118.97 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -100.51 122.97 44.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.8 tp -111.26 115.87 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 m -127.89 122.62 32.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.79 116.63 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -93.05 124.11 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 20.2 mm -115.5 160.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 100' ' ' ILE . 53.3 mm-40 -33.11 -49.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -130.27 -31.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 75.3 mmm -84.09 167.24 16.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -159.93 142.15 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -128.83 162.78 26.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.7 p -138.76 166.08 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.09 12.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.3 m -130.31 141.84 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.57 132.92 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -103.17 117.81 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.46 121.53 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -118.06 131.58 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.73 132.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 37' ' ' LYS . 14.7 m -115.65 158.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.84 124.56 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -45.4 -31.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 116' ' ' LYS . . . -88.69 90.09 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -167.56 173.29 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -107.92 151.33 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.95 89.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 71.9 m -137.69 168.19 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 42.3 m -36.77 -46.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.66 49.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -126.32 128.39 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -122.58 131.34 53.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' C ' ' CD ' ' A' ' 11' ' ' GLN . . . -172.4 131.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' CD ' ' C ' ' A' ' 10' ' ' ALA . 1.1 pm0 -167.6 141.09 2.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.96 8.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -145.22 105.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -133.67 131.46 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -119.76 133.48 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -101.27 126.33 48.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -108.22 157.28 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.1 mt -82.22 133.33 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.42 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -143.26 131.34 11.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.16 69.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.75 46.24 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -157.13 120.65 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.4 99.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -82.05 105.7 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -86.21 141.73 35.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 54.1 Cg_endo -69.76 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.46 3.1 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 4.4 p80 -106.01 -18.6 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.87 -34.28 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -45.98 -42.17 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 14.6 pt20 -92.26 142.95 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 4.8 m -34.79 107.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -69.68 114.49 7.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mm -100.62 127.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.14 142.4 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -75.43 158.98 31.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.5 m -74.03 158.47 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.46 -36.76 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.13 155.25 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -77.18 154.54 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -111.98 123.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -117.59 119.34 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -133.81 101.12 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.73 92.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.54 101.79 19.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.9 Cg_endo -69.75 161.95 43.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 19.4 p90 -166.64 155.51 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.19 148.21 4.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.7 mtpp -148.62 161.04 34.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.74 -49.48 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.368 -0.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.02 95.17 34.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 54.0 Cg_endo -69.77 126.73 13.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -69.77 163.59 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.7 t -143.23 132.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.86 128.11 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -113.76 125.05 53.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -139.27 164.96 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 31.0 mtpt -119.16 38.89 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.73 -31.41 3.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.56 -36.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 151.81 38.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -178.63 2.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.93 178.7 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -114.33 81.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.1 p -40.32 -28.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 t -50.37 -49.21 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -97.75 -44.89 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -82.85 135.35 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.75 103.82 13.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.5 t -119.02 107.91 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' CG ' ' HB ' ' A' ' 80' ' ' VAL . 17.6 ptt180 -92.43 102.68 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -92.76 146.07 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.4 t -139.02 139.44 37.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' OD2' ' CE1' ' A' ' 77' ' ' PHE . 4.0 p-10 -39.53 -28.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE1' ' OD2' ' A' ' 76' ' ' ASP . 14.2 m-85 -79.04 -68.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 47' ' ' PRO . 5.9 p-10 -141.48 164.51 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.02 153.94 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 ' HB ' ' CG ' ' A' ' 73' ' ' ARG . 46.7 t -136.75 136.63 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -119.96 137.89 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -147.03 136.43 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -135.79 129.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -52.9 -58.03 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.9 128.86 48.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 74.67 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.45 153.71 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' ALA . 58.4 m -68.06 -43.8 77.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -50.12 -43.46 51.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 1.4 t -52.95 145.33 12.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 160.82 -136.44 4.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -133.05 103.55 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.411 ' CE1' ' HE3' ' A' ' 60' ' ' LYS . 4.5 m-85 -87.66 114.56 24.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.48 124.1 44.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' ALA . 43.6 tp -112.65 139.04 48.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.65 160.03 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.5 t -132.53 109.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -90.66 127.71 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 101' ' ' GLU . 4.1 mm -122.53 160.45 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 100' ' ' ILE . 6.7 mm-40 -30.24 -59.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -125.12 -19.04 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.1 mmm -95.89 166.08 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -160.08 152.85 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -140.47 160.07 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.2 p -143.63 162.66 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -166.06 148.24 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.2 m -123.44 134.76 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.42 147.48 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -117.87 123.17 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.6 mt -120.51 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -125.67 130.53 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 91' ' ' SER . 99.5 t -110.89 134.12 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.4 m -118.19 150.69 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -80.95 152.15 28.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -73.68 143.24 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.68 127.04 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -168.83 165.81 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -149.83 158.08 43.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.38 152.79 10.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -152.88 115.3 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -139.05 177.19 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.42 67.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -139.71 135.44 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.0 mt -153.55 137.6 16.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.56 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -66.39 146.69 99.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -149.48 131.53 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 t -105.15 147.73 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.09 133.6 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -106.39 30.91 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.74 156.58 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 69.3 mt -48.09 132.34 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.38 -48.21 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 12.7 tp10 -149.26 130.43 7.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 150.09 67.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -150.6 106.73 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.83 87.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.0 mmm180 -65.23 109.1 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -101.19 135.72 19.85 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -107.84 1.22 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.44 7.35 30.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -132.68 12.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -80.77 -34.48 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -101.22 -68.37 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 34' ' ' TYR . 92.8 m -166.28 140.43 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.432 ' N ' HG23 ' A' ' 33' ' ' THR . 6.8 t80 -95.02 98.99 11.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -84.07 130.45 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -152.71 151.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -81.72 164.78 21.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -81.81 152.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.95 -25.24 4.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.28 160.66 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -85.73 126.05 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.49 143.22 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -148.59 110.33 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' A' ' 34' ' ' TYR . 46.4 mt -120.85 114.53 21.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -109.91 90.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.14 101.75 28.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.81 67.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -143.13 146.5 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -110.28 167.99 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 137.02 154.49 6.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.6 mptt -144.62 160.51 47.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.64 101.35 11.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.76 121.75 8.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.23 . . . . 0.0 112.322 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -76.13 135.9 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.2 149.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -151.04 120.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -106.22 139.72 40.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 p -151.52 143.55 23.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -108.46 75.43 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.03 -45.77 1.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.99 42.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 158.75 12.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.11 41.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 mt -58.52 158.64 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -20.53 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 p 39.42 40.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -128.32 -36.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -115.98 -21.8 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.6 t -89.49 132.07 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.594 ' N ' ' HD1' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -103.36 83.21 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -87.11 104.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -103.81 98.26 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 75' ' ' SER . 40.6 m -99.78 144.53 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.433 ' N ' HG21 ' A' ' 74' ' ' THR . 87.6 p -134.95 155.47 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.93 -19.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -85.27 -65.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -149.63 165.95 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -97.82 150.07 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.39 131.67 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CZ ' HG22 ' A' ' 83' ' ' VAL . 19.1 t80 -119.83 129.48 54.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -139.27 151.25 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' CZ ' ' A' ' 81' ' ' PHE . 71.0 t -147.34 124.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -37.95 -66.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -129.33 128.71 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.8 91.58 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -81.71 148.67 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' ALA . 83.1 mtm-85 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 m -46.39 -50.68 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' SER . 12.8 t70 -38.07 -49.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' ASP . 19.5 m -35.8 118.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.96 -148.92 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' CD ' HG21 ' A' ' 108' ' ' THR . 4.0 tm-20 -129.3 115.12 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.92 125.1 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.98 119.2 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 107' ' ' ALA . 57.5 tp -105.21 124.36 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.72 167.61 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 77.9 t -144.14 117.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -92.0 136.19 33.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 101' ' ' GLU . 6.6 mm -138.58 160.21 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 100' ' ' ILE . 7.8 mm-40 -31.45 -67.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -129.45 28.24 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.432 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 21.5 mtp -141.67 157.75 44.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -158.39 148.6 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -143.26 143.37 31.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.0 p -124.9 149.57 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -140.29 154.89 46.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.421 HG21 ' CD ' ' A' ' 93' ' ' GLU . 78.7 m -120.93 132.99 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -120.8 116.45 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 112' ' ' ARG . 75.8 mt -100.94 148.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 12.9 tpt180 -129.85 144.72 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.439 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 61.4 t -134.8 119.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.4 m -116.65 142.04 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.76 134.75 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -67.57 -47.12 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.87 171.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -115.82 167.72 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -111.11 -60.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.42 168.76 7.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -171.64 164.35 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 m -155.44 178.05 10.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.83 -164.43 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -162.69 163.32 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -138.85 145.37 39.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.42 179.13 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -134.93 134.86 22.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.98 32.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.77 119.95 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -161.02 167.06 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.17 138.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.95 146.99 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -118.04 175.1 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -88.78 146.28 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.71 -42.79 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HB3' ' N ' ' A' ' 51' ' ' LYS . 4.0 tp10 -149.81 131.78 7.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.2 67.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.3 Cg_endo -69.81 142.75 48.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -157.64 110.6 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.3 mt -84.98 100.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -76.39 101.59 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.32 127.27 71.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.729 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 54.4 Cg_endo -69.75 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -100.6 -9.74 21.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.9 p80 -97.48 2.03 49.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.19 4.54 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -77.62 -15.38 59.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -135.81 174.54 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -57.38 115.53 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.1 123.77 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -113.62 119.87 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -147.28 164.1 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -96.69 146.76 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 113' ' ' VAL . 30.1 t -57.83 152.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.97 -41.74 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.08 142.17 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 5.2 mt-30 -73.99 127.32 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.8 mt -79.64 147.96 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.29 107.63 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 mt -129.51 102.15 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 11.2 p -106.61 100.63 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.8 101.82 15.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.725 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.6 Cg_endo -69.79 139.87 41.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 12.5 p90 -126.17 162.23 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -125.13 154.26 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.38 170.23 15.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 31.5 mmtp -152.46 154.77 32.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.77 -44.45 0.51 Allowed 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.335 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -142.53 106.29 5.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 133.98 26.94 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 4.1 tp-100 -80.45 150.31 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 58.9 t -122.12 135.49 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.18 121.02 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -108.88 136.14 48.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 p -143.21 147.94 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 21.7 tptp -114.91 88.01 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 39.93 35.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.11 49.41 9.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.86 154.81 1.84 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.31 57.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -92.49 174.03 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.26 95.24 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 p -55.6 -14.28 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -64.76 -17.0 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -134.38 -41.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.83 133.6 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -118.41 98.62 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -99.59 120.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -99.09 97.2 8.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -93.51 123.79 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 p -123.23 143.19 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -26.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -80.51 -68.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 47' ' ' PRO . 11.1 p30 -143.9 165.24 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -98.02 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 132.76 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.59 129.31 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -144.87 148.41 33.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.9 t -138.04 129.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -40.03 -61.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -132.6 132.6 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.2 88.11 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.58 173.93 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' NE ' ' HG2' ' A' ' 115' ' ' GLU . 11.4 mmt85 -69.19 -16.78 63.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 91' ' ' SER . 3.2 m -85.02 -45.48 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.8 m-20 -35.14 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.5 t -60.69 145.7 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.12 -142.61 8.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.518 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 3.2 tt0 -132.97 105.74 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.45 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 4.3 m-85 -87.78 121.68 30.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.84 126.42 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 tp -120.69 110.19 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.2 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.85 114.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.95 120.18 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 101' ' ' GLU . 7.9 mm -115.98 160.0 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 100' ' ' ILE . 11.8 mt-10 -32.77 -53.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.02 -29.04 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.453 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 96.3 mmm -85.42 163.67 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -159.9 137.53 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.08 163.44 22.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.9 p -137.68 160.3 39.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.32 151.77 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 42.4 m -129.71 131.04 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.98 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -109.52 134.01 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 ' CD1' ' A' ' 94' ' ' TYR . 63.1 mt -126.85 145.62 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -138.74 133.68 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 38' ' ' VAL . 36.3 t -114.43 121.66 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.51 142.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.46 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 15.8 mt-10 -62.66 135.43 57.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -83.96 36.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.54 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -142.88 166.03 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -133.49 176.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.96 90.72 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 p -173.11 144.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -111.89 161.67 16.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.47 -178.27 18.37 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.9 154.77 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -128.47 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.78 127.73 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.429 ' NE2' ' H ' ' A' ' 11' ' ' GLN . 2.1 pm0 -130.63 151.43 78.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.87 38.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -106.8 139.02 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -165.79 140.57 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -131.27 127.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -39.49 143.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.75 161.01 17.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 103' ' ' MET . 24.2 mt -82.26 140.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.08 -29.29 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -159.51 132.46 4.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.68 65.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 151.77 69.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.24 112.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.48 109.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -91.74 97.09 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -87.76 144.75 35.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -107.16 2.55 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.6 p80 -108.56 1.29 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.6 mt -127.9 30.31 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -102.4 -20.57 14.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -124.38 -57.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 m -168.82 142.29 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE2' HD21 ' A' ' 44' ' ' LEU . 8.8 t80 -105.69 102.34 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -84.19 118.81 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -137.81 144.37 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -78.7 150.17 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -68.42 153.92 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.75 -42.82 2.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.65 160.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.52 131.84 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -84.72 148.54 26.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -147.96 106.82 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 34' ' ' TYR . 28.5 mt -124.06 102.57 7.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.99 97.57 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.32 101.8 33.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 144.5 53.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 21.7 p90 -131.22 162.63 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -128.66 162.07 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.61 162.87 9.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.0 mmtm -146.7 153.98 47.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.76 -49.34 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.339 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.83 103.4 12.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.76 122.94 9.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -70.29 147.5 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' A' ' 48' ' ' PHE . 68.1 t -116.43 144.33 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -139.42 146.11 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -131.19 138.22 49.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.0 p -145.42 133.97 22.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -111.9 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.65 31.71 7.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 16.69 77.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.78 144.81 34.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.13 66.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -86.22 162.29 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' SER . 29.6 t70 -100.48 11.43 39.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 p 39.83 28.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.4 t -97.33 -40.52 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -112.86 -15.6 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.4 138.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' A' ' 71' ' ' HIS . 5.0 t-80 -113.02 102.91 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -118.41 145.92 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -129.84 100.07 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -89.59 132.42 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 82.5 p -127.54 138.19 52.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.8 p-10 -36.83 -33.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.0 m-85 -73.77 -68.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.451 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -145.75 165.09 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -98.86 144.34 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.1 t -132.13 136.55 56.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -119.98 131.92 55.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -145.79 150.25 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.6 t -137.03 149.36 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -56.75 -53.93 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.5 131.63 40.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.3 44.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.33 152.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -41.71 -51.36 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' ASP . 51.8 p -41.69 -53.87 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -35.46 -48.53 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASP . 29.9 p -37.74 117.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.59 -149.78 6.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 6.0 tt0 -133.52 112.04 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.3 m-85 -96.48 119.82 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.78 114.73 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.91 128.18 42.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.5 m -131.04 118.66 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.7 t -92.78 113.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -94.02 129.32 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 10.7 mm -118.42 160.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' ILE . 17.3 mt-10 -32.6 -48.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.97 -31.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 87.0 mmm -84.84 166.47 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.09 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -138.14 161.75 35.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.8 p -143.83 158.5 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.59 153.12 12.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 90.4 m -124.17 136.45 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.12 144.15 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.5 mtm-85 -111.14 117.3 32.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 94' ' ' TYR . 83.2 mt -116.58 121.61 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -121.02 128.76 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.33 144.18 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.86 141.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.08 137.31 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 1.1 tmtp? -49.59 123.53 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 100.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -172.41 149.26 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -159.86 160.53 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.69 166.9 18.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -167.23 118.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -152.86 128.08 9.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.73 -143.36 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -117.88 110.86 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.26 88.37 7.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.4 101.94 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -165.16 130.46 1.97 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.56 0.695 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.03 4.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.98 95.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.2 m -116.03 139.71 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.88 131.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 3.7 tpp85 -83.18 24.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 16' ' ' ARG . 1.3 mp0 -116.71 154.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt -83.18 136.72 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.0 -49.49 76.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.4 tp10 -156.76 133.58 6.42 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.651 0.739 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.52 68.79 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -169.07 132.65 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.437 HD12 ' CB ' ' A' ' 107' ' ' ALA . 22.3 mt -105.65 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -78.15 106.73 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.26 142.56 26.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.73 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -105.56 -5.94 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.8 p80 -101.13 0.54 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.512 HD23 ' CD1' ' A' ' 34' ' ' TYR . 93.2 mt -119.05 -0.39 11.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -70.35 -48.06 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -87.44 -67.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 19.8 m -168.8 154.22 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 30' ' ' LEU . 3.0 t80 -105.71 97.29 7.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 37.1 mm -88.66 121.79 39.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -147.91 148.45 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -77.68 159.27 29.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' CG1' ' CG1' ' A' ' 113' ' ' VAL . 4.9 m -75.41 160.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -39.41 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.54 178.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.7 134.7 42.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.68 103.21 15.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -105.44 115.31 30.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 34' ' ' TYR . 4.0 mt -129.19 124.04 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.19 93.25 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.62 101.73 19.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 54.1 Cg_endo -69.67 148.01 64.72 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.8 p90 -143.79 156.96 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -123.64 152.74 41.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.47 157.19 8.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 14.2 mtpt -151.77 160.87 30.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.73 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.359 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -130.71 91.68 36.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.72 121.62 8.32 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -77.79 137.96 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.52 139.99 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.4 t -128.51 123.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -109.14 132.3 54.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 p -152.51 144.83 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -109.06 80.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.26 -31.04 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.06 42.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.465 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.78 147.34 8.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.83 33.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.6 149.67 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.14 -19.92 8.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.3 p 43.79 30.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -111.55 -43.04 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -112.18 -23.11 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.7 t -84.54 136.84 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -116.32 83.36 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.12 116.23 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -102.51 98.01 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -91.38 141.76 28.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' PHE . 22.7 p -137.35 135.74 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 29.8 t70 -35.58 -33.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 91.7 m-85 -74.48 -74.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.458 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 25.1 p30 -135.52 163.54 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.3 t -99.04 150.76 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -133.04 137.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.544 ' CE2' HG23 ' A' ' 83' ' ' VAL . 71.5 t80 -120.72 131.59 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -137.57 146.89 44.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.544 HG23 ' CE2' ' A' ' 81' ' ' PHE . 42.7 t -147.39 126.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -42.7 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.17 135.05 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.08 84.26 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -81.33 139.8 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' ALA . 5.7 mtm105 -34.62 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 87' ' ' ALA . 34.8 t -58.85 -49.3 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 9.7 m-20 -51.44 -41.64 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -37.86 140.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.15 -149.28 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -125.97 110.37 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CD1' HD13 ' A' ' 111' ' ' ILE . 3.8 m-85 -89.02 116.17 27.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -95.85 118.46 32.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 24' ' ' ILE . 13.2 tp -108.38 117.08 33.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.84 142.74 50.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.8 t -112.1 125.63 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -97.33 145.13 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 18.5 mm -142.83 160.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 100' ' ' ILE . 12.9 mm-40 -33.04 -66.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -125.91 24.35 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.6 mtp -140.39 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.77 138.03 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.88 161.73 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.5 p -134.12 160.71 36.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 24' ' ' ILE . . . -159.93 143.99 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 109' ' ' ILE . 95.2 m -114.45 137.22 52.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.425 ' N ' HG21 ' A' ' 108' ' ' THR . 73.0 mt -133.18 122.98 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -98.3 129.29 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 94' ' ' TYR . 94.3 mt -122.61 123.33 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.451 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 29.6 ttt180 -114.07 132.78 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.434 ' CG1' ' CG1' ' A' ' 38' ' ' VAL . 56.0 t -113.6 127.77 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 26.9 m -114.98 145.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.66 154.48 41.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.68 103.31 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.46 154.95 43.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -120.8 -55.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -105.66 164.21 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.86 40.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -95.2 146.62 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -98.13 108.97 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.1 -108.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -137.78 149.81 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -114.36 42.83 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.35 151.72 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -141.1 141.39 23.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 134.04 27.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.8 t -88.69 124.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -87.57 145.93 25.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 16' ' ' ARG . 81.7 mt -131.64 142.18 43.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 15' ' ' ILE . 19.4 ptt180 -103.14 152.99 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -44.14 145.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.83 133.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.58 -39.0 53.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -149.44 129.23 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.66 0.743 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 150.66 67.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 54.0 Cg_endo -69.76 112.04 2.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -120.93 120.69 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.34 94.06 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -78.62 108.65 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' CD2' HD11 ' A' ' 30' ' ' LEU . 7.6 mt -105.83 134.03 19.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.54 0.686 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.7 Cg_endo -69.73 156.27 63.84 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.04 -24.74 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.544 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 12.1 p-80 -79.7 -4.79 53.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 25.1 mt -113.98 2.39 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -88.41 -0.99 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -133.16 -74.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -166.54 144.48 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CE2' HD23 ' A' ' 44' ' ' LEU . 3.1 t80 -98.58 103.61 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.5 mm -85.93 125.14 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -148.35 159.54 43.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -94.22 146.87 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.57 157.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.24 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.35 142.64 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.47 132.38 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.76 148.43 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -147.25 110.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 34' ' ' TYR . 69.7 mt -124.99 100.38 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 8.1 p -101.86 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 2.4 t -112.18 101.64 52.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.8 143.22 49.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -144.35 149.9 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -107.06 158.52 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.77 157.03 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.3 mttm -158.75 160.65 29.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.82 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.317 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -130.87 93.42 31.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 141.69 45.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.99 144.82 25.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.21 153.82 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.31 126.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -122.83 119.17 29.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.8 p -148.97 131.36 15.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' HD2' ' CE1' ' A' ' 94' ' ' TYR . 58.0 tttm -98.04 85.39 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.52 54.04 5.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.45 41.57 97.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.15 145.58 10.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.94 2.09 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.74 174.75 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.72 80.65 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.6 p -51.5 -46.04 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.65 -41.1 5.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 71' ' ' HIS . 18.7 t -83.07 143.17 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' N ' HG12 ' A' ' 70' ' ' VAL . 5.5 t-80 -124.21 106.64 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 118.34 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -101.24 98.07 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 m -95.7 128.49 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -130.81 149.74 52.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -19.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -87.9 -63.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -149.1 162.66 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -101.03 152.14 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.73 136.82 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.692 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 20.6 t80 -119.21 130.8 55.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -133.64 152.41 51.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.692 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 95.0 t -142.74 116.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 83' ' ' VAL . 9.4 ttt180 -36.87 -67.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -132.99 128.84 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.31 160.61 32.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -163.28 140.03 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . 57.6 mtm-85 -36.41 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.5 t -61.65 -54.32 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.31 -37.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 p -43.68 111.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.46 -150.4 6.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.42 ' HG2' ' CG2' ' A' ' 108' ' ' THR . 15.9 tt0 -133.23 109.14 9.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.443 ' CE1' ' HD2' ' A' ' 60' ' ' LYS . 2.9 m-85 -87.26 157.89 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -132.54 134.78 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.12 111.45 14.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 m -126.5 128.15 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.8 114.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -93.72 118.44 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 101' ' ' GLU . 9.1 mm -114.6 160.37 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 100' ' ' ILE . 5.1 mm-40 -30.77 -55.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.86 -30.48 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.453 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 85.6 mmm -84.15 162.51 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -159.98 151.91 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.87 154.78 46.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.8 p -135.97 158.74 43.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.15 156.98 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 93' ' ' GLU . 39.2 m -130.23 109.81 11.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.8 mt -94.62 116.81 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.17 131.66 39.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 44' ' ' LEU . 66.7 mt -127.93 134.64 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -120.72 130.2 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.52 126.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.16 137.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -50.73 149.11 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -65.98 131.41 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -165.46 158.0 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -173.3 172.92 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -163.61 176.46 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.21 172.99 43.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -153.03 165.43 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -173.06 148.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.88 145.52 17.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 p -119.5 128.27 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -152.26 151.84 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.2 146.61 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 67.1 mt-30 -155.65 105.12 2.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.656 0.741 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 11' ' ' GLN . 53.2 Cg_endo -69.78 141.78 46.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -79.3 139.56 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.4 m -128.04 145.63 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm -102.46 120.68 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -86.97 27.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -70.49 147.14 49.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -68.49 152.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.91 -31.52 11.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -157.81 133.8 6.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.99 64.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.75 150.98 68.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.14 119.78 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.429 ' CG1' HG21 ' A' ' 98' ' ' VAL . 52.7 mt -92.74 91.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -70.96 109.62 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.69 138.91 26.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.466 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.76 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -108.52 -6.04 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 10.4 p80 -95.2 -22.9 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.8 mt -82.72 -36.5 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -42.15 -29.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' THR . 20.5 mm-40 -108.65 138.57 44.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' GLN . 62.3 m -34.8 109.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.58 105.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.4 mm -89.34 118.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -143.81 141.12 30.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -75.7 162.64 28.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -77.54 150.9 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.36 -35.22 2.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -63.43 166.33 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.08 156.81 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -118.85 145.57 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -149.15 114.52 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.6 mt -128.59 106.49 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.17 95.97 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.99 101.78 13.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 139.98 41.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 9.8 p90 -135.3 162.88 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -128.34 156.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.72 163.52 10.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mtmm -154.77 160.64 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.529 0.68 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.75 -49.09 0.24 Allowed 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.324 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -133.44 103.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.73 67.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 10.2 tt0 -97.25 156.25 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -128.21 129.33 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.79 120.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -113.86 119.67 38.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -135.42 153.96 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -118.24 77.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.44 32.27 34.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.31 54.08 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.31 148.15 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.08 166.14 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -96.83 97.48 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -63.35 -9.74 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m -73.22 -39.05 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -22.77 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 t -102.4 142.6 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -119.46 101.98 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.82 102.51 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -88.61 101.11 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.2 m -100.5 107.96 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.9 m -80.54 171.65 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -78.91 -1.42 35.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.55 -37.1 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -144.59 165.31 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 9.2 t -119.82 136.97 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -122.74 148.03 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 27.6 t80 -129.46 130.99 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.6 t80 -136.64 154.35 50.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.546 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 47.4 t -142.67 132.51 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -52.79 -59.93 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -125.32 128.3 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.13 55.92 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.96 166.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -59.26 -33.29 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -60.57 -43.02 97.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.67 -29.52 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 p -52.25 110.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.52 -154.55 9.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -127.66 118.36 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.48 127.21 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.23 114.97 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.9 tp -105.48 117.53 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 m -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.429 HG21 ' CG1' ' A' ' 24' ' ' ILE . 19.3 t -101.25 118.34 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 9.6 tt0 -97.58 119.01 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 101' ' ' GLU . 8.8 mm -111.93 160.25 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 100' ' ' ILE . 46.1 mm-40 -30.8 -55.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -124.82 -32.36 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 49.4 mtp -84.67 167.27 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HE2' ' CG2' ' A' ' 106' ' ' THR . 0.3 OUTLIER -159.74 152.08 20.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -136.57 162.92 31.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.414 ' CG2' ' HE2' ' A' ' 104' ' ' LYS . 10.5 p -141.01 163.9 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.69 156.35 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -127.69 133.63 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.5 mt -121.54 136.09 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -107.92 128.25 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.59 132.53 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -125.13 129.78 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.0 130.43 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 23.8 m -120.28 143.76 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' LYS . 37.6 mt-10 -67.45 136.39 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' GLU . 23.5 mtmm -36.47 -46.63 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.57 178.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -140.32 117.07 10.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -135.76 138.88 43.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.43 58.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -158.21 108.11 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -134.75 133.4 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 58.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -83.86 38.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.48 111.73 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.55 89.42 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.34 126.88 27.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 127.13 14.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.9 107.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -77.81 127.02 31.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.506 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 67.2 mt -118.07 35.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -102.91 160.27 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -130.1 154.62 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 51' ' ' LYS . 58.8 mt -55.31 138.09 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.8 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -150.79 132.11 7.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 158.36 57.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 116.37 4.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 4.4 tppt? -124.19 101.74 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.3 mt -82.69 103.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' CZ ' ' HG2' ' A' ' 23' ' ' LYS . 1.5 mpt_? -81.75 130.49 35.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.38 138.41 23.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 54.0 Cg_endo -69.73 -170.11 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.92 -2.03 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.527 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 20.9 p-80 -102.81 -8.98 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 33.4 mt -107.99 -2.76 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.43 -42.78 82.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.08 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -165.11 135.65 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CE2' HD21 ' A' ' 44' ' ' LEU . 4.7 t80 -83.34 97.63 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -82.51 120.13 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -146.64 143.57 28.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -81.41 148.47 29.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 m -59.73 157.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.55 -49.32 3.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -49.87 143.72 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.48 126.02 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.1 mt -80.08 143.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -149.09 105.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.545 HD21 ' CE2' ' A' ' 34' ' ' TYR . 91.6 mt -119.11 118.27 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.4 92.46 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 t -103.1 101.83 24.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.96 40.1 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -165.48 150.62 9.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.16 162.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.7 159.74 9.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.3 mtmm -156.49 160.82 30.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.74 -45.98 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.382 -0.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 48.4 ttt180 -134.93 93.82 17.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 54.0 Cg_endo -69.75 133.27 25.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -93.31 129.19 39.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 57' ' ' VAL . 94.1 t -97.18 141.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 58' ' ' TRP . 75.5 t -125.45 135.56 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.415 ' N ' HG13 ' A' ' 57' ' ' VAL . 68.4 m95 -121.51 124.21 43.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -142.87 135.15 27.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 14.9 tptp -109.01 96.25 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.93 -33.35 4.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 47.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.64 154.75 4.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.571 0.7 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.0 mt -39.26 146.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -28.84 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p 48.64 34.67 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 p -121.5 -37.01 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -115.1 -22.54 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -89.45 135.99 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -107.05 84.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 82.3 t -86.74 100.77 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -88.67 95.98 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.5 m -100.34 126.86 46.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' ASP . 22.3 p -122.56 142.24 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' SER . 18.0 t0 -36.72 -40.3 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -70.38 -73.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.89 160.6 37.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -99.74 156.11 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.54 128.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 10.8 t80 -117.52 137.2 52.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -150.99 152.98 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 80.6 t -138.07 122.56 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 10.3 tpt180 -34.4 -66.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -132.39 124.33 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.21 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -158.18 141.16 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 5.9 mmm180 -37.23 -34.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -56.88 -54.74 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' SER . 56.2 m-20 -42.47 -46.47 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.1 p -35.7 119.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.03 -148.5 8.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 94' ' ' TYR . 0.2 OUTLIER -132.61 114.34 14.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.3 m-85 -91.01 131.66 36.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -107.79 112.33 24.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.9 tp -103.09 111.54 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -121.37 134.11 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.3 117.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' C ' ' A' ' 101' ' ' GLU . 2.9 mm -107.23 160.14 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 100' ' ' ILE . 24.7 mt-10 -31.73 -58.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -124.22 -27.34 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 80.7 mmm -85.85 165.83 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -159.89 140.99 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.71 155.8 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 47.1 p -136.19 153.74 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.62 146.91 25.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 109' ' ' ILE . 94.5 m -115.09 137.46 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 108' ' ' THR . 58.8 mt -131.65 116.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -92.48 121.66 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.45 HD11 ' CE1' ' A' ' 94' ' ' TYR . 97.6 mt -113.85 136.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -125.85 127.82 46.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.03 115.11 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 32.0 m -104.12 147.14 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.24 173.22 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -103.47 41.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.18 131.58 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 61.21 41.88 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -141.53 128.76 21.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.65 82.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -168.97 125.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -114.36 130.18 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 174.42 26.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -121.79 -41.75 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 mt -80.24 90.26 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.3 43.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -125.98 151.47 71.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 150.19 67.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.93 70.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -156.44 153.34 28.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -106.92 134.73 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -117.05 163.83 15.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -140.2 150.13 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 54.4 mt -64.81 153.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 18' ' ' ILE . . . -88.99 -46.92 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 11.7 tp10 -153.66 132.81 7.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.1 63.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 152.62 69.12 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -165.97 110.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' A' ' 107' ' ' ALA . 76.6 mt -82.85 94.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . 4.1 mmm180 -73.93 102.3 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.73 137.37 33.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -98.32 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -81.37 -11.47 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.08 20.41 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -89.83 -36.4 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.89 -72.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -165.67 145.49 6.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -95.06 100.89 12.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 mm -89.17 118.26 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -135.46 159.83 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -91.61 160.85 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.13 144.85 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.06 -39.9 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.51 160.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -87.55 137.29 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 15.2 mt -98.1 144.76 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -149.18 105.45 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 109' ' ' ILE . 1.5 mm? -102.19 99.99 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -95.19 91.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.11 101.86 52.72 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.77 36.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -131.03 152.05 50.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -120.35 156.86 30.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.98 150.98 5.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 2.4 mptp? -141.16 159.33 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.77 -49.22 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.379 -0.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -133.75 101.71 12.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 121.26 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -72.69 132.76 44.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.23 136.18 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -131.47 117.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -102.29 124.15 47.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.8 p -146.0 131.55 18.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -87.17 84.45 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.31 -42.08 3.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.31 41.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.68 155.01 21.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mt -106.54 173.95 6.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -112.83 90.38 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -51.53 -17.9 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -53.4 -34.29 57.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -125.05 -27.85 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 70.4 t -86.92 146.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -123.22 116.42 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.1 t -123.8 112.56 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -103.73 97.9 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -92.01 146.64 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -141.47 142.11 33.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.18 -35.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -72.95 -64.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -145.29 166.09 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.55 156.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.59 125.81 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 55.6 t80 -117.06 129.6 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -130.66 156.03 45.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.1 t -145.48 119.15 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' VAL . 39.0 ttt180 -35.68 -68.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -128.12 139.22 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 42' ' ' LEU . . . -99.29 92.89 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.72 150.06 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . 18.0 mmm180 -36.31 -35.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.0 m-20 -39.46 -43.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -39.9 108.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.97 -148.75 5.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -133.17 114.52 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.66 118.66 34.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.44 119.71 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 64.7 tp -101.34 111.48 23.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.89 155.96 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -134.54 122.81 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -94.21 145.06 24.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.469 ' O ' ' C ' ' A' ' 101' ' ' GLU . 11.2 mm -144.48 160.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 100' ' ' ILE . 5.6 mm-40 -32.9 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -121.99 27.8 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.459 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 48.3 mtp -144.22 163.04 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -157.3 152.65 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.71 157.67 46.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -142.12 156.53 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.414 ' CB ' HD13 ' A' ' 24' ' ' ILE . . . -159.26 167.84 27.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.4 m -129.89 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.425 ' CG2' HD13 ' A' ' 44' ' ' LEU . 67.2 mt -132.48 111.19 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -89.22 121.51 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.1 mt -115.92 134.82 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -130.8 134.31 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.4 t -116.37 123.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.87 139.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.7 132.48 52.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -76.08 -37.16 58.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 155.79 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 78.3 p 35.57 42.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -134.33 103.01 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.86 124.71 7.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -99.3 136.37 39.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -83.2 -51.38 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 171.0 35.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.51 139.48 39.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 1.8 tt 66.86 37.36 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' C ' ' HG3' ' A' ' 11' ' ' GLN . . . 55.55 38.08 29.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 65.4 mt-30 -151.03 138.22 11.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.74 40.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 82.4 t -75.81 121.98 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -40.75 125.66 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 13' ' ' VAL . 19.8 mm -102.47 157.91 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -90.1 25.32 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -80.37 152.12 29.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 64.9 mt -42.07 142.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -86.82 -42.46 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 3.6 tp10 -151.39 128.6 5.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.9 68.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.7 65.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.4 tmtm? -160.45 112.89 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 HG22 ' CB ' ' A' ' 107' ' ' ALA . 79.9 mt -84.35 103.44 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -90.21 121.57 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.68 139.34 21.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.468 ' CG ' HD13 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.71 -171.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 0.0 112.352 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -98.4 -5.68 32.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -99.92 -5.15 28.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 27' ' ' PRO . 20.8 mt -102.23 -28.69 12.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 31' ' ' ARG . 14.5 mtp-105 -48.92 -33.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -106.63 149.42 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -41.39 115.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.25 112.29 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.77 118.87 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -146.09 147.13 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -81.92 157.54 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG13 ' CG1' ' A' ' 113' ' ' VAL . 4.8 m -70.87 154.78 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 -43.83 2.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.76 145.67 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.93 132.5 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -99.34 147.28 25.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -146.35 123.19 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 mt -138.6 108.24 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 10.4 p -102.65 105.79 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 96' ' ' LEU . 6.3 t -104.1 101.74 27.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 154.25 68.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 30.8 p90 -154.22 143.0 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -106.37 160.86 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.427 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 143.17 153.58 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.3 mptt -143.61 160.74 49.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.2 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.34 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -133.93 96.11 16.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.76 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -70.43 158.86 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.52 123.69 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.45 121.03 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -102.64 125.39 49.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 p -135.26 151.0 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 11.6 tptm -114.42 81.06 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.94 -39.28 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.64 -36.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' CB ' ' HD2' ' A' ' 64' ' ' PRO . . . -100.52 165.78 13.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 63' ' ' ALA . 53.4 Cg_endo -69.77 142.76 48.75 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.9 mt -44.59 155.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' A' ' 69' ' ' ARG . 3.3 m-20 -53.66 -27.52 27.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p 46.21 31.59 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -111.17 -40.93 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' NH1' ' CG ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -121.69 -16.77 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -82.83 134.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -112.57 103.27 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.1 t -106.06 131.02 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -108.54 96.79 6.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -91.39 132.96 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.3 t -130.87 138.7 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 p-10 -34.55 -33.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 18.9 m-85 -80.92 -71.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 2.3 p30 -140.29 157.53 45.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -100.63 160.62 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.31 140.55 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 72.5 t80 -116.99 138.68 51.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -145.05 154.93 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.0 t -146.74 112.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -35.2 -59.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.55 122.71 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.29 164.92 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -161.22 143.42 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' ALA . 36.4 mtp85 -38.06 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.0 t -60.44 -54.04 50.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.1 m-20 -37.75 -47.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 17.3 m -35.87 117.36 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.28 -146.46 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -130.55 108.28 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.0 m-85 -87.82 121.32 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.9 121.93 43.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 107' ' ' ALA . 0.7 OUTLIER -110.7 127.88 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.3 m -133.77 143.09 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.24 130.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.47 ' O ' ' C ' ' A' ' 101' ' ' GLU . 9.2 mm -134.72 160.19 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 100' ' ' ILE . 14.1 mt-10 -32.76 -66.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -126.29 23.01 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 48.2 mtp -139.36 161.0 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -155.52 160.98 40.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -141.68 163.32 33.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.9 p -143.61 151.7 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 24' ' ' ILE . . . -154.51 155.58 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.1 m -123.42 141.98 51.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.4 mt -136.61 136.25 48.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -110.0 123.53 49.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.99 130.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -124.09 131.61 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 38' ' ' VAL . 34.9 t -114.98 143.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.77 141.48 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -57.88 147.28 29.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 167.19 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.25 134.9 44.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -144.4 151.09 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -144.48 151.67 39.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 -132.59 44.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 42.83 41.57 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -82.76 118.32 23.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.05 149.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -119.67 102.02 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -105.82 34.67 3.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.14 95.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -127.74 90.2 48.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.0 85.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -94.52 140.54 29.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mm -128.0 129.14 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -44.13 149.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.99 143.58 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt -78.95 131.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.14 -53.5 57.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 37.3 tp10 -139.68 136.97 17.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.78 148.66 65.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.422 ' CG ' ' HB3' ' A' ' 103' ' ' MET . 53.6 Cg_endo -69.75 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.226 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.47 120.15 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -91.97 105.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 6.1 mmm180 -83.89 113.52 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.36 128.02 30.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.599 0.714 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 54.1 Cg_endo -69.73 -165.16 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -104.57 -8.32 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.425 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 12.6 p-80 -89.1 -7.66 55.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 41.0 mt -105.1 -34.62 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -44.36 -45.06 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' THR . 4.8 pp0? -92.82 138.55 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' GLN . 51.0 m -35.2 122.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.37 114.6 6.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.1 mm -104.05 118.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.17 144.44 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -76.84 161.18 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG11 ' CG1' ' A' ' 113' ' ' VAL . 3.9 m -74.28 154.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.07 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.08 171.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -96.11 140.58 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 47.4 mt -96.9 148.19 23.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 4.8 p-10 -148.16 109.58 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -129.62 108.58 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -110.76 94.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.34 101.78 14.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 160.41 49.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -154.36 156.6 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -112.89 173.43 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.42 163.88 10.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 18.5 mtmm -159.39 160.22 28.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.69 -49.27 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.373 -0.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 16.5 mtm105 -133.82 95.73 17.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.73 124.6 11.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -72.58 139.28 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 57' ' ' VAL . 91.1 t -107.94 142.74 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.445 ' N ' HG11 ' A' ' 56' ' ' VAL . 95.4 t -131.52 125.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -112.54 120.27 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.3 p -140.1 135.89 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -111.51 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.85 3.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.31 44.57 84.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.36 147.87 3.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.718 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.52 63.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.47 158.23 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.68 -28.24 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 p 48.04 41.39 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -131.84 -39.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -117.39 -18.96 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -89.33 137.91 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -117.51 108.33 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -126.88 114.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -95.33 102.56 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.7 m -87.9 127.71 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -114.92 154.55 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.64 -8.0 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -108.02 -49.59 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -145.95 165.96 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -119.35 130.03 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -115.08 136.71 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 19.4 t80 -124.62 137.71 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -147.58 157.54 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 61.6 t -146.68 121.27 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -41.0 -60.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -124.47 130.06 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -96.59 81.18 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -77.45 144.69 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 37.0 mtp180 -37.37 -32.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' ALA . 46.3 t -54.33 -57.08 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.3 m-20 -36.54 -38.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASP . 25.2 p -38.11 117.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.71 -148.8 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -133.59 112.34 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.417 ' CD1' HD13 ' A' ' 111' ' ' ILE . 3.4 m-85 -91.07 115.31 27.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -102.63 116.9 33.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.9 tt -103.97 123.62 47.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 m -129.4 123.15 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.02 114.89 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.39 134.84 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 15.3 mm -126.32 159.65 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' ILE . 25.2 mt-10 -34.15 -47.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -130.76 -31.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.422 ' HB3' ' CG ' ' A' ' 22' ' ' PRO . 84.5 mmm -84.49 166.92 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -159.63 148.67 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -135.18 160.24 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 p -145.11 147.77 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.21 154.1 34.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 109' ' ' ILE . 88.1 m -123.82 140.3 53.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.46 ' N ' HG22 ' A' ' 108' ' ' THR . 88.7 mt -131.99 134.22 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -110.08 128.69 55.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.417 HD13 ' CD1' ' A' ' 94' ' ' TYR . 89.2 mt -121.26 137.67 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.38 133.21 47.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.434 ' CG1' HG11 ' A' ' 38' ' ' VAL . 53.9 t -114.18 131.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.4 m -111.41 129.27 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.59 130.62 46.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -47.0 94.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.97 119.67 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -138.07 125.57 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -169.89 151.02 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.73 107.69 0.7 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -172.75 167.69 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 p -111.54 129.51 56.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.29 40.27 16.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -135.01 157.26 47.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.173 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.63 108.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.49 148.42 22.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.54 145.87 33.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.708 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.4 t -44.79 109.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -157.75 169.12 25.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 16' ' ' ARG . 21.4 mt -75.14 144.05 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' N ' HG22 ' A' ' 15' ' ' ILE . 11.2 mtm-85 -104.8 161.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -75.29 150.86 38.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -54.83 139.3 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' C ' ' A' ' 51' ' ' LYS . . . -81.07 -45.06 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 34.6 tt0 -164.39 137.64 4.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.81 148.28 64.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.7 165.64 30.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -173.04 105.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.7 mt -78.57 107.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.621 HH11 ' NE2' ' A' ' 49' ' ' GLN . 44.9 mmm-85 -95.5 80.07 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -49.88 141.62 14.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.76 -164.58 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -114.59 -0.86 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 8.4 p80 -97.43 -30.55 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 44' ' ' LEU . 18.8 mt -79.67 -34.09 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 16.5 mtp-105 -40.72 -37.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 15.6 pt20 -101.87 140.06 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 3.5 m -35.41 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.49 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 mm -89.29 120.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.31 148.53 29.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.08 161.01 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 87' ' ' ALA . 7.1 p -73.69 143.83 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 38' ' ' VAL . . . 76.86 -10.69 17.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -72.73 148.55 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.51 132.66 48.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 44.7 mt -99.56 144.95 28.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -146.82 106.92 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 30' ' ' LEU . 73.1 mt -127.89 104.08 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.82 97.42 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.0 t -100.76 102.19 18.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.742 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.58 57.66 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -140.02 141.58 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.621 ' NE2' HH11 ' A' ' 25' ' ' ARG . 20.5 mt-30 -101.53 170.31 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.7 162.5 10.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 42.4 mttt -157.7 157.58 29.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.77 -51.02 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.339 -0.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -135.09 94.48 15.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 127.26 14.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.01 136.62 50.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 57' ' ' VAL . 62.5 t -111.24 139.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' N ' HG11 ' A' ' 56' ' ' VAL . 43.0 t -128.7 134.22 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.446 ' CZ2' ' CD1' ' A' ' 96' ' ' LEU . 58.4 m95 -117.48 132.19 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 p -139.8 150.17 44.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 27.4 tptp -113.67 89.99 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.83 38.88 76.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 50.09 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.61 156.19 4.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 158.58 56.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -96.22 177.01 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' THR . 3.6 m-20 -114.06 77.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' ASP . 63.0 p -37.21 -37.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -43.85 -47.03 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.37 132.59 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -116.14 87.12 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.55 127.2 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -101.04 154.59 18.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -133.17 121.3 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -120.1 135.14 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.63 -40.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -70.86 -59.44 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -151.3 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.2 t -99.94 154.1 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.01 134.56 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 83' ' ' VAL . 1.2 t80 -116.9 129.28 55.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -143.23 154.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 73.0 t -141.54 134.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.06 -43.65 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -147.41 123.45 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -94.57 89.79 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 38' ' ' VAL . . . -80.34 153.09 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' ALA . 53.7 mtm-85 -37.05 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ALA . 48.1 t -69.97 -51.79 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -43.11 -35.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -57.9 140.72 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.81 -139.64 5.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.32 119.61 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.576 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.7 m-85 -97.85 150.27 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -133.36 116.52 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' CD1' ' CZ2' ' A' ' 58' ' ' TRP . 5.4 tt -106.55 115.28 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.8 m -120.77 125.92 48.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.4 t -92.65 112.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -95.28 129.93 42.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 101' ' ' GLU . 13.1 mt -133.92 160.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 12.9 mt-10 -26.2 -68.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -119.1 -17.88 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.48 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 92.9 mmm -91.86 156.79 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -154.89 159.1 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.466 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 6.3 t0 -149.68 158.39 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.7 p -143.94 158.67 43.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.13 161.13 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -130.39 151.69 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 74.6 mt -141.59 136.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -104.54 125.53 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 mt -126.99 126.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -122.78 129.55 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.3 t -107.99 120.71 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.89 144.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.33 125.18 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' ALA . 10.9 ptpt -38.11 104.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' LYS . . . -34.44 120.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -172.5 146.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -155.72 144.85 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.57 151.14 11.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.88 161.63 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -39.82 -61.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.02 -103.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -55.84 141.76 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.086 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -142.26 144.05 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.57 164.37 8.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -160.52 136.68 6.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 133.86 26.59 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.2 t -111.24 127.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -109.86 108.91 19.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 16' ' ' ARG . 49.6 mm -120.39 138.73 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' N ' HG23 ' A' ' 15' ' ' ILE . 1.8 ptt-85 -48.86 159.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -73.17 144.09 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 19' ' ' ALA . 84.4 mt -49.27 160.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 18' ' ' ILE . . . -104.6 -37.64 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -152.72 134.25 8.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.65 63.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.5 Cg_endo -69.82 136.54 33.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 105.22 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.403 ' CG1' HG21 ' A' ' 98' ' ' VAL . 26.3 mt -84.07 97.3 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.6 mmm180 -81.91 123.58 28.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 30' ' ' LEU . 14.1 mt -109.1 131.28 21.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 53.7 Cg_endo -69.79 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -82.8 -45.21 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 19.1 p-80 -54.3 -18.37 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 44' ' ' LEU . 12.7 mt -93.1 -45.01 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' LEU . 40.5 mtm180 -34.7 -40.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -98.62 167.1 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 m -60.25 104.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.84 115.83 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -98.5 125.37 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -146.14 154.33 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -92.19 159.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.93 143.29 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.25 -36.53 2.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.64 142.32 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.23 157.95 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.85 142.23 47.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.18 105.0 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 30' ' ' LEU . 70.9 mt -127.6 104.35 7.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.5 p -99.14 105.39 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.3 t -103.07 103.45 34.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.79 61.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 56' ' ' VAL . 24.6 p90 -142.32 143.74 32.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -114.32 155.14 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.97 157.93 8.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 9.2 mttm -147.78 160.78 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.81 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -131.64 95.99 21.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.78 136.26 32.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.291 . . . . 0.0 112.359 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -79.61 151.27 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' CE2' ' A' ' 48' ' ' PHE . 80.1 t -125.38 125.33 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.2 t -123.81 124.29 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -111.95 118.35 35.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 p -140.83 154.18 46.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.54 89.4 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 35.98 60.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.69 10.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.91 144.53 16.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 162.39 42.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.65 172.8 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' SER . 55.6 m-20 -104.47 76.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . 66.1 p -36.86 -31.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASP . 38.2 t -48.21 -50.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.69 -34.34 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.9 118.46 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -105.96 118.75 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.9 119.45 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 96.4 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 m -105.16 117.75 34.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -119.72 179.86 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.85 7.13 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -120.52 -60.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 11.3 p-10 -146.36 165.56 28.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -119.26 142.58 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.93 154.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 63.6 t80 -118.48 129.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' C ' HG22 ' A' ' 83' ' ' VAL . 82.3 t80 -131.06 151.88 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 75.5 t -147.41 127.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -55.54 -51.42 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -139.77 126.42 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.98 92.36 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.29 141.37 28.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ALA . 55.3 mtp85 -35.6 -40.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.1 m -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -40.09 -47.2 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.7 p -42.53 109.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.33 -144.97 4.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.39 103.5 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -88.01 120.57 29.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -106.27 118.68 37.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.6 tp -101.92 114.97 29.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.07 153.45 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.403 HG21 ' CG1' ' A' ' 24' ' ' ILE . 48.1 t -128.07 108.87 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -90.19 120.76 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 101' ' ' GLU . 6.1 mm -118.25 160.32 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 100' ' ' ILE . 6.8 mm-40 -31.36 -59.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -125.93 -21.32 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.459 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 56.1 mmm -90.95 166.17 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 105' ' ' ASP . 1.9 tmtm? -159.85 152.25 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.458 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 8.2 t0 -143.87 164.63 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -146.57 165.47 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -161.75 157.87 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.4 m -130.62 131.03 44.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 57.2 mt -125.69 122.17 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -104.3 122.51 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 92.0 mt -113.65 151.91 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -135.67 131.68 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -112.1 124.89 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.1 m -108.05 140.28 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.69 152.87 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -77.01 160.72 28.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.3 133.26 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -164.88 136.38 4.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -172.18 175.24 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.4 110.91 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -155.41 146.84 22.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -148.4 161.4 41.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.99 130.93 2.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -127.84 119.54 25.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -140.33 139.68 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.86 92.71 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 23.2 tt0 -42.13 141.39 1.39 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 11' ' ' GLN . 54.1 Cg_endo -69.73 175.92 7.43 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.76 125.14 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -97.15 153.98 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 mt -119.91 127.71 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.11 35.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -115.24 145.59 42.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -82.19 141.6 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.8 -49.99 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -135.88 130.76 18.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.54 69.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.78 134.16 27.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -149.12 113.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.411 HG23 ' CD2' ' A' ' 96' ' ' LEU . 60.8 mt -87.35 95.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -78.91 95.27 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.22 141.05 53.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.457 ' CG ' HD11 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -113.18 -13.0 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -88.03 -15.17 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 27' ' ' PRO . 96.0 mt -96.33 -36.39 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' LEU . 79.6 mtt-85 -38.07 -45.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' THR . 11.5 pt20 -87.61 146.35 25.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' GLN . 17.9 m -35.6 110.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -71.26 113.0 7.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.33 131.22 48.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -145.3 148.34 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -89.13 158.22 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.43 142.26 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.16 -45.65 3.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.49 133.56 40.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.7 162.53 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.15 145.09 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -148.42 108.75 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.21 105.59 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.95 91.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.27 101.78 43.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 154.76 67.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.25 160.66 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -122.09 166.67 14.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.94 152.42 5.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mttt -149.48 160.49 34.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.717 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.77 -49.13 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.393 -0.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttp-105 -132.16 95.92 20.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.73 122.67 9.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -64.37 152.59 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -129.69 126.63 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 58' ' ' TRP . 93.4 t -123.71 141.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' N ' HG12 ' A' ' 57' ' ' VAL . 34.3 m95 -127.68 118.73 24.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.4 p -145.35 134.84 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -107.06 80.17 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.87 50.94 3.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.26 62.93 5.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.39 145.49 1.49 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.45 3.7 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.5 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 3.1 p30 -112.41 83.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.4 p -48.82 -32.69 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.5 m -41.67 -51.48 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' NE ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -98.25 -40.39 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -82.53 125.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -107.61 85.09 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.4 t -86.36 108.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -90.64 97.03 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -94.42 124.3 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.95 143.72 37.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.04 -35.57 11.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 17.3 p90 -81.82 -53.01 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 39.5 p30 -136.35 166.57 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -113.75 132.68 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.84 139.63 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 26.4 t80 -121.73 130.69 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -135.2 150.61 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 95.5 t -142.36 121.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' VAL . 8.7 ttt85 -36.03 -58.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -135.66 138.3 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.01 73.51 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.67 166.99 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.442 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.2 mtm105 -70.7 -24.84 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -72.15 -23.8 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.47 -38.0 65.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -41.75 140.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.22 -151.05 18.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.34 104.71 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 109' ' ' ILE . 5.3 m-85 -87.19 120.11 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -102.32 119.13 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' CD2' HG23 ' A' ' 24' ' ' ILE . 27.7 tp -99.79 119.35 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.78 167.04 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.1 t -145.61 108.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -90.95 131.85 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 101' ' ' GLU . 3.8 mm -123.44 160.53 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 100' ' ' ILE . 4.0 mm-40 -29.7 -49.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -132.55 -33.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 40.1 mtp -84.97 166.26 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -159.79 151.42 20.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.75 158.24 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 p -140.2 161.22 38.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.6 158.59 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 109' ' ' ILE . 54.7 m -129.71 139.71 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' TYR . 80.9 mt -130.02 138.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -109.43 127.81 54.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.1 mt -125.63 132.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.16 127.53 43.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.02 131.17 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.48 135.62 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' LYS . 12.2 mt-10 -61.68 121.79 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLU . 10.6 ptpt -36.9 -43.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.84 141.99 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -126.24 142.55 51.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -124.99 104.39 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.6 60.85 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.3 p -73.68 -42.32 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -91.11 86.63 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 48.47 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.84 122.2 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.814 0.34 . . . . 0.0 111.118 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -102.13 103.77 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.46 120.89 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -131.95 97.63 18.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.37 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -141.75 127.92 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -162.33 157.55 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -125.36 132.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -75.63 142.47 42.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -89.41 149.03 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 103' ' ' MET . 87.7 mt -38.33 145.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 -32.16 34.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -163.32 133.63 3.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.22 69.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 154.78 67.48 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HE2' ' CZ ' ' A' ' 25' ' ' ARG . 5.4 tptm -164.08 115.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.5 mt -86.78 105.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CZ ' ' HE2' ' A' ' 23' ' ' LYS . 2.0 mmp_? -89.86 87.99 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.36 139.11 22.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.542 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.74 151.46 69.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -67.06 -12.98 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 6.1 p-80 -87.61 -6.25 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 14.4 mt -107.06 -35.28 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.09 -40.99 78.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.27 -75.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 89.3 m -167.15 163.72 15.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 33' ' ' THR . 2.6 t80 -127.55 110.55 12.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 2.7 mm -99.78 125.7 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.96 138.85 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -67.63 166.0 15.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 113' ' ' VAL . 42.5 t -77.45 148.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.45 -37.35 3.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.8 145.59 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -75.12 130.83 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -145.41 106.5 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.0 mt -114.9 102.36 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -100.08 97.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.01 101.66 22.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 16.5 p90 -132.52 141.98 48.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.569 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 4.2 mp0 -104.79 171.13 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.16 167.96 12.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.4 mttt -154.36 160.07 31.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 -43.91 0.56 Allowed 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.351 -0.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -139.43 105.04 7.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.81 155.89 64.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -97.51 159.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.34 130.55 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.54 120.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -112.82 120.36 41.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 p -141.99 135.87 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.4 ' HG2' ' CE1' ' A' ' 94' ' ' TYR . 15.3 mtpt -85.23 36.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.2 40.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.75 64.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.78 146.46 1.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.524 0.678 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.26 20.92 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.57 148.98 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.02 103.31 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.9 p -77.33 48.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -129.74 -32.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -120.29 -23.53 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.9 t -88.12 138.22 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -123.51 82.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.6 t -88.31 120.43 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -108.75 95.95 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -86.59 126.34 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -113.92 137.69 51.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -39.96 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' SER . 46.8 m-85 -82.17 -59.69 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 13.7 p-10 -147.33 163.67 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -97.83 142.23 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.07 134.36 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.3 t80 -120.94 132.03 54.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -137.99 151.7 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 85.5 t -137.94 123.1 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -36.46 -64.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.68 129.81 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.08 108.31 5.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.69 141.66 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -45.09 -23.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -72.97 -46.36 52.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 -35.27 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 m -46.73 108.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.72 -149.83 5.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 13.2 tt0 -128.19 112.01 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 4.8 m-85 -91.86 117.91 30.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.37 110.35 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.41 121.47 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m -129.12 143.75 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.01 110.38 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.02 117.29 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 54' ' ' PRO . 8.5 mm -111.11 160.06 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 100' ' ' ILE . 36.7 mm-40 -32.32 -53.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -126.76 -27.47 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.462 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 86.4 mmm -86.49 162.81 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.65 162.16 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.8 p -143.84 163.21 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.01 160.57 27.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.495 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 72.2 m -130.37 121.49 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.419 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 73.5 mt -108.76 155.73 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -129.37 121.39 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 112' ' ' ARG . 84.0 mt -118.32 138.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.435 ' N ' HG21 ' A' ' 111' ' ' ILE . 36.1 ttt180 -134.15 133.43 41.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG1' HG21 ' A' ' 38' ' ' VAL . 50.4 t -116.37 151.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.4 m -137.64 153.47 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.58 129.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.31 -50.82 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.78 88.0 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.602 HD13 ' HG3' ' A' ' 103' ' ' MET . 21.7 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -83.44 -48.54 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -147.52 133.32 9.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.731 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.68 69.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.5 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.06 118.37 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.65 94.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -71.92 102.7 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -91.96 124.81 59.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.631 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.77 166.21 28.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -73.63 -23.47 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 27' ' ' PRO . 22.7 p80 -78.21 -8.48 58.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 44' ' ' LEU . 20.6 mt -107.93 -11.18 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -83.65 28.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -161.39 143.72 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -37.72 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.72 99.35 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -85.19 121.34 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.1 mmp_? -142.13 167.47 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -100.1 164.36 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.41 147.04 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.99 -39.43 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -54.22 158.72 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -88.86 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.19 146.98 25.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -148.17 105.75 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 30' ' ' LEU . 70.5 mt -124.29 121.14 34.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -116.53 96.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 t -102.83 101.78 23.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.625 0.726 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.13 41.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 56' ' ' VAL . 37.0 p90 -129.68 140.52 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.0 159.97 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.93 170.69 13.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 32.7 mtmt -157.1 159.77 30.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.79 0.25 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.333 -0.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 94.25 19.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.2 Cg_endo -69.79 124.03 10.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.98 153.43 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 48' ' ' PHE . 59.6 t -120.95 114.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.11 136.56 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -121.4 126.78 50.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 p -142.67 149.28 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 18.2 tptm -116.03 83.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.86 -23.84 29.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.4 -21.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.99 146.84 34.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.64 67.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.27 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 67' ' ' THR . 46.1 mt -54.33 140.72 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 65' ' ' LEU . 73.4 p 45.21 36.72 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -122.38 -37.98 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -116.76 -18.2 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.23 142.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.53 98.55 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.41 110.49 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -104.27 95.98 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.3 m -91.49 127.67 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.6 t -116.01 136.46 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' SER . 9.8 t70 -34.49 -41.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.76 -61.71 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -147.65 165.1 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.2 t -99.28 157.93 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -138.99 134.79 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 44' ' ' LEU . 37.6 t80 -119.45 132.81 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -145.67 156.47 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 47.6 t -145.62 134.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -51.12 -57.45 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -135.03 124.75 25.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.49 92.18 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.417 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -75.47 143.25 42.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -45.44 -28.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 90' ' ' ASP . 47.8 m -63.48 -54.56 34.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.7 m-20 -36.11 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.6 p -40.42 109.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.463 ' HA3' ' CE ' ' A' ' 60' ' ' LYS . . . -169.33 -139.31 2.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.1 tm-20 -133.52 123.1 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.4 m-85 -102.09 117.58 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -100.04 122.4 42.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -110.84 120.28 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 96' ' ' LEU . 35.3 m -122.32 137.17 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.31 122.21 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -93.08 136.4 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.6 mm -136.52 160.17 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.52 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.9 mm-40 -33.12 -67.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.41 18.99 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.602 ' HG3' HD13 ' A' ' 18' ' ' ILE . 24.9 mtp -132.63 160.52 36.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -154.86 151.32 28.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.8 p -138.12 161.09 37.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.05 152.17 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 93' ' ' GLU . 89.8 m -118.56 149.49 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.9 mt -140.76 125.5 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -95.28 127.69 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.719 HD12 ' CD1' ' A' ' 94' ' ' TYR . 66.7 mt -126.26 127.29 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -123.97 131.85 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.0 t -116.05 129.16 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.3 m -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.37 131.51 42.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 42.9 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.9 70.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -141.57 135.71 14.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.756 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 147.98 63.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' CG ' HG13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 148.47 65.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -159.68 114.08 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.31 96.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.21 111.65 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HD2' ' A' ' 27' ' ' PRO . 9.4 mt -98.74 143.14 25.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.9 Cg_endo -69.73 -165.65 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -116.42 3.15 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.8 p80 -106.72 -24.1 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' CG ' ' A' ' 27' ' ' PRO . 87.0 mt -82.28 -32.59 29.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -44.85 -46.62 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 17.9 mt-30 -83.1 142.76 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 8.3 m -35.61 112.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.94 118.71 10.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -103.43 120.72 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -141.14 146.67 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -80.14 158.5 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 114' ' ' VAL . 38.2 t -68.77 143.53 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.14 -26.11 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.18 144.01 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -73.26 134.33 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HB ' ' A' ' 83' ' ' VAL . 44.0 mt -91.22 148.4 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -148.33 112.4 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -127.4 111.61 14.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 80' ' ' VAL . 86.1 t -107.82 96.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.25 101.6 17.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.61 45.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.2 p90 -156.94 168.45 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -132.82 152.32 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.16 169.04 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.1 mtmt -162.45 161.2 20.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.81 -46.86 0.34 Allowed 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.321 -0.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -133.64 94.07 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.626 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.3 Cg_endo -69.78 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.03 142.57 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 96' ' ' LEU . 80.2 t -118.38 117.51 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.01 137.25 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.1 m95 -119.42 126.41 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -127.74 131.12 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 94' ' ' TYR . 18.3 tptm -102.8 81.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.48 34.16 17.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.23 8.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.31 154.25 3.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.03 66.78 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.85 171.16 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.7 m-20 -99.68 82.16 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.8 p -38.9 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' ASP . 7.6 t -51.47 -47.25 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -104.88 -24.18 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -89.82 135.51 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -118.27 111.97 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 80' ' ' VAL . 24.3 t -123.64 122.05 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -98.99 95.86 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 m -92.69 123.44 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t -120.86 144.07 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.62 -36.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.19 -66.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.446 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.9 p30 -143.13 166.05 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -110.42 155.52 22.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 45' ' ' VAL . 94.9 t -136.79 153.04 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 83' ' ' VAL . 16.0 t80 -132.01 129.83 40.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -138.4 158.14 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 69.2 t -143.15 143.62 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 16.4 ttm105 -56.09 -55.55 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.51 138.72 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.29 89.38 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.73 145.53 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -48.59 -19.43 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -77.43 -37.51 51.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.75 -37.61 63.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -40.68 107.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.13 -146.78 4.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -133.21 110.23 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.692 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -90.01 120.24 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -107.51 108.97 20.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -95.92 121.66 37.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 106' ' ' THR . 58.5 m -125.65 129.25 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.86 109.37 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.45 121.97 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.8 mm -112.98 160.66 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.554 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.2 mt-10 -30.85 -60.22 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -118.66 -33.17 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 66.3 mtp -84.78 167.76 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 16.9 tttt -156.21 151.1 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 4.7 t70 -135.25 155.68 50.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.518 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.0 p -139.09 148.05 42.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.86 143.78 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -113.6 142.33 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' TYR . 44.7 mt -131.0 135.63 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -106.28 134.36 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 94' ' ' TYR . 85.9 mt -133.7 142.16 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -136.34 140.43 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.54 139.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.8 m -122.43 163.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -80.61 161.2 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.8 mttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' HB2' ' A' ' 102' ' ' ASN . 53.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.43 -42.58 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -146.39 132.25 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.436 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.4 Cg_endo -69.77 146.7 60.91 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -159.02 111.52 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mt -84.35 95.18 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -81.25 103.58 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.12 135.22 37.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.728 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.4 Cg_endo -69.81 -175.13 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -90.07 -10.56 44.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 6.7 p80 -96.07 -2.21 47.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 27' ' ' PRO . 77.2 mt -118.45 12.37 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -80.64 -36.91 31.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -110.6 168.37 9.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 m -47.36 118.86 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -73.23 115.93 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mm -92.81 128.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' VAL . 19.9 mmt180 -149.43 168.64 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -106.3 153.71 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.928 HG23 ' HA ' ' A' ' 87' ' ' ALA . 10.5 p -69.81 144.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.75 -11.36 14.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -83.22 143.14 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -60.09 147.67 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.809 HD12 ' HB ' ' A' ' 83' ' ' VAL . 20.1 mt -107.78 147.19 31.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -149.03 106.28 3.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 30' ' ' LEU . 35.4 mt -124.13 108.23 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 99.61 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 30' ' ' LEU . 13.6 t -109.25 101.72 46.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.46 40.12 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.1 p90 -130.22 159.14 37.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -122.22 166.39 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.26 159.15 8.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.5 mttm -149.39 159.29 36.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -47.94 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.323 -0.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -132.24 99.34 16.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 131.86 22.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 98' ' ' VAL . 21.5 tt0 -84.04 140.68 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 48' ' ' PHE . 85.1 t -117.24 129.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.49 131.61 72.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' HD23 ' A' ' 96' ' ' LEU . 83.9 m95 -113.72 118.98 35.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 p -127.38 125.81 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HB2' HD21 ' A' ' 65' ' ' LEU . 7.1 tmtt? -104.07 90.22 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 48.11 7.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.48 48.49 84.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.56 149.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.73 20.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 60' ' ' LYS . 1.8 mt -102.27 175.74 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' SER . 6.5 m-20 -108.26 86.84 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.3 p -40.02 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' ASP . 47.7 t -54.69 -45.53 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -99.26 -36.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -88.08 145.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -126.87 84.67 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.3 t -92.67 116.89 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.48 97.27 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -87.05 136.38 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 t -125.92 142.43 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.37 -58.61 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.41 165.09 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 t -97.79 144.49 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.22 132.82 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 44' ' ' LEU . 19.6 t80 -117.18 129.45 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CD1' ' N ' ' A' ' 83' ' ' VAL . 2.0 t80 -140.24 154.21 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.809 ' HB ' HD12 ' A' ' 42' ' ' LEU . 35.3 t -145.49 135.21 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -54.98 -52.4 63.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -140.83 122.61 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -95.17 84.5 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.928 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -72.14 145.12 48.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ALA . 65.0 mtp85 -33.89 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 65.1 p -60.54 -49.1 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 87' ' ' ALA . 7.3 t70 -45.9 -38.19 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -43.52 136.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.55 -144.55 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -130.52 115.11 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.0 m-85 -92.87 118.98 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -90.79 113.28 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 58' ' ' TRP . 2.3 tm? -99.66 114.88 28.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.8 m -130.25 137.56 50.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 55' ' ' GLN . 13.7 t -105.51 114.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -93.08 115.78 28.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.2 mm -109.01 159.95 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 22.5 mt-10 -33.92 -52.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.679 ' HB2' HD11 ' A' ' 18' ' ' ILE . 31.2 m-20 -125.48 -28.95 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.409 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 89.6 mmm -86.08 161.98 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.39 130.72 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.04 164.54 15.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 p -141.16 161.24 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 96' ' ' LEU . . . -164.63 155.3 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.2 m -123.58 141.45 51.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mt -132.49 139.2 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -112.09 126.06 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 94' ' ' TYR . 74.9 mt -120.89 128.8 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.97 124.38 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.6 m -113.54 131.02 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 38' ' ' VAL . 4.4 pt-20 -69.91 122.85 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 102' ' ' ASN . 49.6 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -65.07 -40.51 94.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 51' ' ' LYS . 20.9 tt0 -155.2 134.46 7.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.698 0.761 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.79 68.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.236 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.422 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.72 149.57 67.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -165.16 121.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.451 HD11 HG23 ' A' ' 98' ' ' VAL . 82.2 mt -95.78 96.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -74.95 97.5 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.17 137.33 32.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.6 Cg_endo -69.79 -167.83 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -104.62 -10.24 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -92.99 -8.51 42.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 HD22 ' A' ' 44' ' ' LEU . 16.2 mt -97.12 -37.58 10.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 15.1 mtp-105 -38.63 -49.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -86.69 152.52 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 m -45.99 120.19 2.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -72.92 107.96 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 112' ' ' ARG . 6.1 mm -98.72 126.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 114' ' ' VAL . 6.0 mmp_? -145.37 153.56 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HD2' ' CB ' ' A' ' 116' ' ' LYS . 35.3 mtmt -84.63 152.66 23.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 39' ' ' GLY . 32.9 t -61.97 154.73 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' A' ' 38' ' ' VAL . . . 83.44 -46.69 3.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.05 156.09 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -80.88 154.48 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 58.2 mt -110.31 102.25 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -104.07 119.48 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.754 HD22 HD21 ' A' ' 30' ' ' LEU . 15.9 mt -134.78 102.13 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.58 95.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 79' ' ' THR . 21.2 t -99.42 101.77 14.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 138.65 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 5.1 p90 -137.08 149.06 47.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -118.27 154.83 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.4 165.08 15.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 31.8 mmtp -155.72 153.14 25.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.709 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.78 -50.79 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.305 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -134.76 96.79 14.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 122.47 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.63 148.12 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 96' ' ' LEU . 90.1 t -116.65 137.84 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.81 120.44 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.748 ' CD1' HG11 ' A' ' 72' ' ' VAL . 61.5 m95 -110.68 118.24 35.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 58' ' ' TRP . 6.0 p -158.87 122.27 3.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -102.91 129.53 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.04 -9.38 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.04 35.5 3.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.69 146.57 20.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.66 4.2 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.919 HD23 HG21 ' A' ' 70' ' ' VAL . 8.2 mp -45.52 154.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.72 -13.38 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.6 p 44.54 39.22 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -120.7 -36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -116.21 -23.23 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.919 HG21 HD23 ' A' ' 65' ' ' LEU . 93.3 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -93.21 100.95 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 58' ' ' TRP . 32.0 t -107.11 111.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 4.5 mmm180 -96.86 96.29 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 m -83.37 108.8 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -112.52 134.48 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.4 m-85 -83.05 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 7.3 p-10 -151.04 165.74 32.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 46' ' ' VAL . 9.7 t -100.75 156.3 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -138.54 136.77 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.2 t80 -121.71 129.61 52.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -132.82 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 9.6 t -146.54 128.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.49 -61.13 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -133.67 126.87 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.82 85.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.01 136.67 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -41.62 -33.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -56.57 -51.8 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' SER . 27.8 t70 -44.19 -41.26 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' ASP . 26.4 p -36.19 119.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.61 -156.2 16.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.53 109.55 13.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 2.9 m-85 -89.51 120.68 31.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -108.04 111.26 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 56' ' ' VAL . 13.9 tp -95.69 118.04 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.77 125.37 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.451 HG23 HD11 ' A' ' 24' ' ' ILE . 29.1 t -96.34 106.74 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.29 126.31 35.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.4 mm -120.86 159.97 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 27.7 mm-40 -33.17 -49.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.471 ' HB3' HD11 ' A' ' 18' ' ' ILE . 7.5 t-20 -130.73 -31.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.422 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 88.6 mmm -84.01 165.57 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 ttpt -159.74 151.57 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 1.4 m-20 -142.82 159.91 41.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -140.71 163.6 32.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.13 161.28 28.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.8 m -128.26 137.9 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 116.81 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 17.3 mtm105 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -117.98 129.2 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . 34.9 ttt85 -126.73 130.54 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.53 124.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' ARG . 31.5 m -110.72 140.7 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.28 143.37 55.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 102' ' ' ASN . 79.8 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.1 -53.69 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.1 tp10 -138.67 132.09 16.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.13 64.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.77 116.25 4.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.26 118.93 27.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 106' ' ' THR . 84.4 mt -90.07 107.36 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -88.81 108.93 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.25 133.66 21.31 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.77 -168.76 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -95.37 -40.09 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.3 p-80 -60.02 -17.89 42.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.799 HD21 HD22 ' A' ' 44' ' ' LEU . 14.7 mt -90.15 -49.29 6.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.7 mtp85 -33.96 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . 33.7 mt-30 -100.25 161.11 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -52.49 120.84 6.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -74.06 100.6 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.33 125.43 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -147.92 143.32 27.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 116' ' ' LYS . 32.0 mtpt -78.6 154.08 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 114' ' ' VAL . 20.3 t -66.2 148.66 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.49 -39.38 2.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -57.28 150.38 18.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -73.45 147.89 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.1 mt -104.22 143.36 33.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -147.3 112.26 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.799 HD22 HD21 ' A' ' 30' ' ' LEU . 94.3 mt -130.77 113.78 14.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.78 94.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 5.3 t -100.06 101.76 15.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.72 146.53 60.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -141.53 155.33 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -120.05 174.26 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.6 162.93 10.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 25.9 mttt -155.71 160.81 30.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.79 -48.45 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -134.29 97.41 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.2 Cg_endo -69.83 141.37 44.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -96.64 135.04 39.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.5 t -100.72 153.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' HG12 ' A' ' 56' ' ' VAL . 61.5 t -144.19 121.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 65' ' ' LEU . 77.2 m95 -108.65 126.66 53.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 p -155.54 142.05 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -101.49 81.73 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.08 -43.18 2.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.73 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.1 147.38 19.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.87 13.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 58' ' ' TRP . 42.7 mt -44.54 151.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.91 -31.26 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 65' ' ' LEU . 68.1 p 50.22 32.51 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -118.69 -40.2 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -116.51 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.54 128.01 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.2 110.4 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.4 p -128.58 127.29 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -119.17 102.09 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' HB ' ' A' ' 79' ' ' THR . 6.6 m -82.77 127.6 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -101.45 -177.57 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -20.62 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -105.98 -49.86 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 14.5 p30 -141.88 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 74' ' ' THR . 7.5 t -107.6 163.78 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 72' ' ' VAL . 44.6 t -137.83 132.01 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 7.0 t80 -121.28 129.95 53.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.88 153.76 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 21.6 t -139.79 132.94 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -51.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -129.81 126.51 38.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.3 102.0 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 139.47 30.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -42.87 -38.29 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -56.06 -45.79 79.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 3.4 m-20 -39.84 -42.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' ASP . 98.4 p -37.21 119.1 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.98 -149.77 7.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -131.73 111.73 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.402 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.0 m-85 -88.15 118.97 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -100.51 122.97 44.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.8 tp -111.26 115.87 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 m -127.89 122.62 32.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.79 116.63 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -93.05 124.11 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.2 mm -115.5 160.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 53.3 mm-40 -33.11 -49.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' HB3' HD11 ' A' ' 18' ' ' ILE . 17.5 t-20 -130.27 -31.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.414 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 75.3 mmm -84.09 167.24 16.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -159.93 142.15 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -128.83 162.78 26.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.573 ' O ' HD12 ' A' ' 24' ' ' ILE . 82.7 p -138.76 166.08 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.09 12.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.3 m -130.31 141.84 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.57 132.92 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -103.17 117.81 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 94' ' ' TYR . 57.5 mt -118.46 121.53 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -118.06 131.58 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.73 132.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 14.7 m -115.65 158.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.84 124.56 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.06 -51.42 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -143.26 131.34 11.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.16 69.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.75 46.24 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -157.13 120.65 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.4 99.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -82.05 105.7 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -86.21 141.73 35.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.723 ' CG ' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.76 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.46 3.1 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 4.4 p80 -106.01 -18.6 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CG ' ' A' ' 27' ' ' PRO . 92.8 mt -89.87 -34.28 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -45.98 -42.17 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 14.6 pt20 -92.26 142.95 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 4.8 m -34.79 107.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -69.68 114.49 7.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mm -100.62 127.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.14 142.4 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -75.43 158.98 31.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 114' ' ' VAL . 9.5 m -74.03 158.47 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.46 -36.76 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.13 155.25 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -77.18 154.54 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 83' ' ' VAL . 11.6 mt -111.98 123.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -117.59 119.34 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 30' ' ' LEU . 27.0 mt -133.81 101.12 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.73 92.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.54 101.79 19.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.9 Cg_endo -69.75 161.95 43.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 19.4 p90 -166.64 155.51 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.19 148.21 4.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.7 mtpp -148.62 161.04 34.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.74 -49.48 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.368 -0.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.02 95.17 34.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.77 126.73 13.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' HG13 ' A' ' 98' ' ' VAL . 4.9 tt0 -69.77 163.59 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 96' ' ' LEU . 84.7 t -143.23 132.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.86 128.11 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 96' ' ' LEU . 47.8 m95 -113.76 125.05 53.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -139.27 164.96 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 31.0 mtpt -119.16 38.89 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.73 -31.41 3.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.56 -36.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 151.81 38.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -178.63 2.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.93 178.7 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -114.33 81.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.1 p -40.32 -28.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 t -50.37 -49.21 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -97.75 -44.89 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -82.85 135.35 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.75 103.82 13.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 80' ' ' VAL . 90.5 t -119.02 107.91 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 80' ' ' VAL . 17.6 ptt180 -92.43 102.68 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -92.76 146.07 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.4 t -139.02 139.44 37.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' OD2' ' CE1' ' A' ' 77' ' ' PHE . 4.0 p-10 -39.53 -28.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE1' ' OD2' ' A' ' 76' ' ' ASP . 14.2 m-85 -79.04 -68.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 5.9 p-10 -141.48 164.51 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.02 153.94 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 72' ' ' VAL . 46.7 t -136.75 136.63 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -119.96 137.89 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -147.03 136.43 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -135.79 129.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -52.9 -58.03 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.9 128.86 48.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 74.67 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.45 153.71 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' ALA . 58.4 m -68.06 -43.8 77.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' HG21 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -50.12 -43.46 51.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.821 ' HB2' HG23 ' A' ' 113' ' ' VAL . 1.4 t -52.95 145.33 12.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 160.82 -136.44 4.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -133.05 103.55 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -87.66 114.56 24.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.48 124.1 44.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 56' ' ' VAL . 43.6 tp -112.65 139.04 48.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.3 OUTLIER -139.65 160.03 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' GLN . 86.5 t -132.53 109.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -90.66 127.71 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 54' ' ' PRO . 4.1 mm -122.53 160.45 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.7 mm-40 -30.24 -59.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -125.12 -19.04 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.1 mmm -95.89 166.08 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -160.08 152.85 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -140.47 160.07 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 97' ' ' SER . 3.2 p -143.63 162.66 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -166.06 148.24 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.2 m -123.44 134.76 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.42 147.48 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -117.87 123.17 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 94' ' ' TYR . 75.6 mt -120.51 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -125.67 130.53 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 91' ' ' SER . 99.5 t -110.89 134.12 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 38' ' ' VAL . 17.4 m -118.19 150.69 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -80.95 152.15 28.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.74 HD13 ' HG3' ' A' ' 103' ' ' MET . 69.3 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.886 0.374 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -79.38 -48.21 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 12.7 tp10 -149.26 130.43 7.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 150.09 67.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -150.6 106.73 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.83 87.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.0 mmm180 -65.23 109.1 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -101.19 135.72 19.85 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.46 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.3 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.32 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -107.84 1.22 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.44 7.35 30.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 27' ' ' PRO . 47.6 mt -132.68 12.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -80.77 -34.48 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -101.22 -68.37 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 35' ' ' ILE . 92.8 m -166.28 140.43 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.02 98.99 11.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -84.07 130.45 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -152.71 151.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -81.72 164.78 21.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 113' ' ' VAL . 3.6 m -81.81 152.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.95 -25.24 4.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.28 160.66 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -85.73 126.05 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.49 143.22 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -148.59 110.33 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 81' ' ' PHE . 46.4 mt -120.85 114.53 21.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -109.91 90.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.14 101.75 28.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.81 67.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -143.13 146.5 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -110.28 167.99 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 137.02 154.49 6.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.6 mptt -144.62 160.51 47.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.64 101.35 11.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.593 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.76 121.75 8.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.23 . . . . 0.0 112.322 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -76.13 135.9 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 74' ' ' THR . 86.3 t -101.2 149.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -151.04 120.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.433 ' CE2' HD13 ' A' ' 96' ' ' LEU . 84.4 m95 -106.22 139.72 40.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 p -151.52 143.55 23.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.451 ' HZ1' ' HA3' ' A' ' 92' ' ' GLY . 15.4 tttp -108.46 75.43 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.03 -45.77 1.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.99 42.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -166.18 158.75 12.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.9 Cg_endo -69.76 140.11 41.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 67' ' ' THR . 29.1 mt -58.52 158.64 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -20.53 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 65' ' ' LEU . 10.9 p 39.42 40.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -128.32 -36.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -115.98 -21.8 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 72' ' ' VAL . 96.6 t -89.49 132.07 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -103.36 83.21 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 70' ' ' VAL . 59.7 t -87.11 104.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -103.81 98.26 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 56' ' ' VAL . 40.6 m -99.78 144.53 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.6 p -134.95 155.47 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.93 -19.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -85.27 -65.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -149.63 165.95 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -97.82 150.07 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.39 131.67 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 44' ' ' LEU . 19.1 t80 -119.83 129.48 54.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -139.27 151.25 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.492 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 71.0 t -147.34 124.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -37.95 -66.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -129.33 128.71 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.8 91.58 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -81.71 148.67 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' ALA . 83.1 mtm-85 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 m -46.39 -50.68 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' SER . 12.8 t70 -38.07 -49.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' ASP . 19.5 m -35.8 118.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.451 ' HA3' ' HZ1' ' A' ' 60' ' ' LYS . . . -173.96 -148.92 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.594 ' OE2' HG23 ' A' ' 108' ' ' THR . 4.0 tm-20 -129.3 115.12 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.92 125.1 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.98 119.2 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 58' ' ' TRP . 57.5 tp -105.21 124.36 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.546 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.6 OUTLIER -121.72 167.61 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 77.9 t -144.14 117.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -92.0 136.19 33.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.6 mm -138.58 160.21 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.508 ' N ' HG22 ' A' ' 100' ' ' ILE . 7.8 mm-40 -31.45 -67.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.606 ' HB2' HD11 ' A' ' 18' ' ' ILE . 36.1 m120 -129.45 28.24 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.74 ' HG3' HD13 ' A' ' 18' ' ' ILE . 21.5 mtp -141.67 157.75 44.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -158.39 148.6 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -143.26 143.37 31.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 97' ' ' SER . 14.0 p -124.9 149.57 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -140.29 154.89 46.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' OE2' ' A' ' 93' ' ' GLU . 78.7 m -120.93 132.99 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -120.8 116.45 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.94 148.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 12.9 tpt180 -129.85 144.72 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 38' ' ' VAL . 61.4 t -134.8 119.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' VAL . 33.4 m -116.65 142.04 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.76 134.75 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 102' ' ' ASN . 80.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . . . -77.71 -42.79 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' ' N ' ' A' ' 51' ' ' LYS . 4.0 tp10 -149.81 131.78 7.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.2 67.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.47 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.3 Cg_endo -69.81 142.75 48.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -157.64 110.6 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.3 mt -84.98 100.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -76.39 101.59 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.32 127.27 71.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.729 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' CD ' HD12 ' A' ' 30' ' ' LEU . 54.4 Cg_endo -69.75 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -100.6 -9.74 21.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.9 p80 -97.48 2.03 49.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.908 HD21 HD22 ' A' ' 44' ' ' LEU . 97.0 mt -120.19 4.54 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -77.62 -15.38 59.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -135.81 174.54 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -57.38 115.53 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.1 123.77 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -113.62 119.87 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.3 mmt180 -147.28 164.1 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -96.69 146.76 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 114' ' ' VAL . 30.1 t -57.83 152.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.97 -41.74 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.08 142.17 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 5.2 mt-30 -73.99 127.32 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 15.8 mt -79.64 147.96 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.29 107.63 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.908 HD22 HD21 ' A' ' 30' ' ' LEU . 33.6 mt -129.51 102.15 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.2 p -106.61 100.63 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 79' ' ' THR . 2.3 t -99.8 101.82 15.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.725 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.87 41.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 12.5 p90 -126.17 162.23 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -125.13 154.26 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 147.38 170.23 15.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 31.5 mmtp -152.46 154.77 32.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.77 -44.45 0.51 Allowed 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.335 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -142.53 106.29 5.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 133.98 26.94 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 4.1 tp-100 -80.45 150.31 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 58.9 t -122.12 135.49 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.18 121.02 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -108.88 136.14 48.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 p -143.21 147.94 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 21.7 tptp -114.91 88.01 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 39.93 35.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.11 49.41 9.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.86 154.81 1.84 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.31 57.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -92.49 174.03 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.26 95.24 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 p -55.6 -14.28 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -64.76 -17.0 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -134.38 -41.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.83 133.6 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -118.41 98.62 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -99.59 120.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -99.09 97.2 8.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -93.51 123.79 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 p -123.23 143.19 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -26.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -80.51 -68.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -143.9 165.24 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.9 t -98.02 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 132.76 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.59 129.31 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -144.87 148.41 33.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' HB ' HD12 ' A' ' 42' ' ' LEU . 96.9 t -138.04 129.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -40.03 -61.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -132.6 132.6 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.487 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -82.2 88.11 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.58 173.93 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.6 ' HE ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmt85 -69.19 -16.78 63.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 91' ' ' SER . 3.2 m -85.02 -45.48 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.8 m-20 -35.14 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.5 t -60.69 145.7 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.12 -142.61 8.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.518 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 3.2 tt0 -132.97 105.74 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 4.3 m-85 -87.78 121.68 30.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.84 126.42 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 tp -120.69 110.19 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.2 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.85 114.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.95 120.18 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 54' ' ' PRO . 7.9 mm -115.98 160.0 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 100' ' ' ILE . 11.8 mt-10 -32.77 -53.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 4.5 m120 -127.02 -29.04 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.47 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 96.3 mmm -85.42 163.67 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -159.9 137.53 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.08 163.44 22.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.9 p -137.68 160.3 39.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.32 151.77 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 42.4 m -129.71 131.04 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.98 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -109.52 134.01 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.1 mt -126.85 145.62 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -138.74 133.68 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.561 ' CG1' HG22 ' A' ' 38' ' ' VAL . 36.3 t -114.43 121.66 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.5 m -95.51 142.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 15.8 mt-10 -62.66 135.43 57.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 102' ' ' ASN . 24.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.08 -29.29 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 18' ' ' ILE . 24.3 tp10 -159.51 132.46 4.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.68 65.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 151.77 69.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.24 112.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.48 109.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -91.74 97.09 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 27' ' ' PRO . 4.3 mt -87.76 144.75 35.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.692 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -107.16 2.55 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.6 p80 -108.56 1.29 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 27' ' ' PRO . 25.6 mt -127.9 30.31 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -102.4 -20.57 14.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -124.38 -57.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 m -168.82 142.29 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . 8.8 t80 -105.69 102.34 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -84.19 118.81 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -137.81 144.37 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -78.7 150.17 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.5 m -68.42 153.92 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.75 -42.82 2.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.65 160.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.52 131.84 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 13.0 mt -84.72 148.54 26.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -147.96 106.82 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 HD21 ' A' ' 30' ' ' LEU . 28.5 mt -124.06 102.57 7.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 80' ' ' VAL . 59.3 t -101.99 97.57 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.32 101.8 33.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 144.5 53.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 21.7 p90 -131.22 162.63 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -128.66 162.07 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.61 162.87 9.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.0 mmtm -146.7 153.98 47.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.76 -49.34 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.339 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.83 103.4 12.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.76 122.94 9.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 98' ' ' VAL . 44.8 tp60 -70.29 147.5 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -116.43 144.33 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -139.42 146.11 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 96' ' ' LEU . 68.2 m95 -131.19 138.22 49.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.0 p -145.42 133.97 22.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -111.9 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.65 31.71 7.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 16.69 77.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.78 144.81 34.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.13 66.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.618 HD23 HG21 ' A' ' 70' ' ' VAL . 2.3 mp -86.22 162.29 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' SER . 29.6 t70 -100.48 11.43 39.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 p 39.83 28.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.4 t -97.33 -40.52 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -112.86 -15.6 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.618 HG21 HD23 ' A' ' 65' ' ' LEU . 65.6 t -98.4 138.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' A' ' 71' ' ' HIS . 5.0 t-80 -113.02 102.91 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -118.41 145.92 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -129.84 100.07 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -89.59 132.42 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 82.5 p -127.54 138.19 52.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.8 p-10 -36.83 -33.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.0 m-85 -73.77 -68.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.461 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -145.75 165.09 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.492 HG21 HD11 ' A' ' 96' ' ' LEU . 10.2 t -98.86 144.34 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 45' ' ' VAL . 43.1 t -132.13 136.55 56.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 83' ' ' VAL . 10.9 t80 -119.98 131.92 55.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -145.79 150.25 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 81' ' ' PHE . 55.6 t -137.03 149.36 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -56.75 -53.93 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.5 131.63 40.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -85.3 44.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.33 152.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -41.71 -51.36 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' ASP . 51.8 p -41.69 -53.87 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -35.46 -48.53 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASP . 29.9 p -37.74 117.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.59 -149.78 6.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 6.0 tt0 -133.52 112.04 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.3 m-85 -96.48 119.82 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.78 114.73 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 97' ' ' SER . 3.2 tt -95.91 128.18 42.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.496 ' N ' HD23 ' A' ' 96' ' ' LEU . 55.5 m -131.04 118.66 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 55' ' ' GLN . 79.7 t -92.78 113.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -94.02 129.32 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.7 mm -118.42 160.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 100' ' ' ILE . 17.3 mt-10 -32.6 -48.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.565 ' HB3' HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -130.97 -31.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 87.0 mmm -84.84 166.47 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.09 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -138.14 161.75 35.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.8 p -143.83 158.5 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.59 153.12 12.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 90.4 m -124.17 136.45 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.12 144.15 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.5 mtm-85 -111.14 117.3 32.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.531 HD12 ' CD1' ' A' ' 94' ' ' TYR . 83.2 mt -116.58 121.61 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -121.02 128.76 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.827 ' CG1' HG12 ' A' ' 38' ' ' VAL . 78.0 t -103.33 144.18 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 38' ' ' VAL . 29.4 m -133.86 141.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.08 137.31 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 1.1 tmtp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.0 -49.49 76.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.4 tp10 -156.76 133.58 6.42 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.651 0.739 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.52 68.79 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -169.07 132.65 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.532 HD13 ' CB ' ' A' ' 107' ' ' ALA . 22.3 mt -105.65 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -78.15 106.73 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.26 142.56 26.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.73 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -105.56 -5.94 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.8 p80 -101.13 0.54 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 27' ' ' PRO . 93.2 mt -119.05 -0.39 11.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -70.35 -48.06 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -87.44 -67.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 19.8 m -168.8 154.22 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HD21 ' A' ' 44' ' ' LEU . 3.0 t80 -105.71 97.29 7.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 37.1 mm -88.66 121.79 39.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -147.91 148.45 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -77.68 159.27 29.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.933 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.9 m -75.41 160.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -39.41 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.54 178.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.7 134.7 42.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.68 103.21 15.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 3.1 p30 -105.44 115.31 30.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 81' ' ' PHE . 4.0 mt -129.19 124.04 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.19 93.25 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.62 101.73 19.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 148.01 64.72 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.8 p90 -143.79 156.96 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -123.64 152.74 41.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.47 157.19 8.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 14.2 mtpt -151.77 160.87 30.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.73 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.359 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -130.71 91.68 36.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.72 121.62 8.32 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -77.79 137.96 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.52 139.99 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.4 t -128.51 123.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -109.14 132.3 54.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 p -152.51 144.83 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -109.06 80.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.26 -31.04 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.06 42.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.465 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.78 147.34 8.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.83 33.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.6 149.67 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.14 -19.92 8.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.3 p 43.79 30.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -111.55 -43.04 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -112.18 -23.11 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 72' ' ' VAL . 84.7 t -84.54 136.84 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -116.32 83.36 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 70' ' ' VAL . 86.0 t -85.12 116.23 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -102.51 98.01 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -91.38 141.76 28.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' PHE . 22.7 p -137.35 135.74 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 29.8 t70 -35.58 -33.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 91.7 m-85 -74.48 -74.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 25.1 p30 -135.52 163.54 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.3 t -99.04 150.76 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -133.04 137.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG23 ' A' ' 83' ' ' VAL . 71.5 t80 -120.72 131.59 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -137.57 146.89 44.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' CE2' ' A' ' 81' ' ' PHE . 42.7 t -147.39 126.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -42.7 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.17 135.05 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.08 84.26 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -81.33 139.8 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' ALA . 5.7 mtm105 -34.62 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 87' ' ' ALA . 34.8 t -58.85 -49.3 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 9.7 m-20 -51.44 -41.64 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -37.86 140.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.15 -149.28 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -125.97 110.37 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.51 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.8 m-85 -89.02 116.17 27.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -95.85 118.46 32.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 tp -108.38 117.08 33.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.84 142.74 50.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.8 t -112.1 125.63 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 100' ' ' ILE . 44.6 tt0 -97.33 145.13 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 54' ' ' PRO . 18.5 mm -142.83 160.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.544 ' N ' HG22 ' A' ' 100' ' ' ILE . 12.9 mm-40 -33.04 -66.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -125.91 24.35 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.6 mtp -140.39 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.77 138.03 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.88 161.73 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.5 p -134.12 160.71 36.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.532 ' CB ' HD13 ' A' ' 24' ' ' ILE . . . -159.93 143.99 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.2 m -114.45 137.22 52.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 73.0 mt -133.18 122.98 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -98.3 129.29 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 94' ' ' TYR . 94.3 mt -122.61 123.33 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 29.6 ttt180 -114.07 132.78 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.933 ' CG1' HG12 ' A' ' 38' ' ' VAL . 56.0 t -113.6 127.77 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.9 m -114.98 145.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.66 154.48 41.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -76.58 -39.0 53.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HB3' ' C ' ' A' ' 50' ' ' GLY . 24.4 tt0 -149.44 129.23 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.66 0.743 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 150.66 67.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 54.0 Cg_endo -69.76 112.04 2.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -120.93 120.69 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.34 94.06 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' CD ' HE22 ' A' ' 49' ' ' GLN . 10.6 mmm180 -78.62 108.65 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' A' ' 107' ' ' ALA . 7.6 mt -105.83 134.03 19.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.54 0.686 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.73 156.27 63.84 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.04 -24.74 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.642 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 18.2 p80 -79.7 -4.79 53.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HG23 ' A' ' 109' ' ' ILE . 25.1 mt -113.98 2.39 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -88.41 -0.99 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -133.16 -74.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -166.54 144.48 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 44' ' ' LEU . 3.1 t80 -98.58 103.61 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.5 mm -85.93 125.14 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.5 mmp_? -148.35 159.54 43.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -94.22 146.87 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 ' CG1' ' A' ' 113' ' ' VAL . 10.3 m -61.57 157.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.24 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.35 142.64 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.47 132.38 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.76 148.43 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -147.25 110.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.608 ' CD1' HD11 ' A' ' 111' ' ' ILE . 69.7 mt -124.99 100.38 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG23 HG22 ' A' ' 80' ' ' VAL . 8.1 p -101.86 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 109' ' ' ILE . 2.4 t -112.18 101.64 52.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 143.22 49.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -144.35 149.9 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.413 HE22 ' CD ' ' A' ' 25' ' ' ARG . 28.8 mp0 -107.06 158.52 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 153.77 157.03 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mttm -158.75 160.65 29.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.82 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.317 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -130.87 93.42 31.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 141.69 45.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.7 tp60 -88.99 144.82 25.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.2 t -111.21 153.82 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' HG12 ' A' ' 56' ' ' VAL . 58.2 t -138.31 126.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -122.83 119.17 29.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.8 p -148.97 131.36 15.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HD2' ' CE1' ' A' ' 94' ' ' TYR . 58.0 tttm -98.04 85.39 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.52 54.04 5.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.45 41.57 97.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.15 145.58 10.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.94 2.09 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.74 174.75 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.72 80.65 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.6 p -51.5 -46.04 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.65 -41.1 5.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.07 143.17 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -124.21 106.64 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 118.34 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -101.24 98.07 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 m -95.7 128.49 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -130.81 149.74 52.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -19.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -87.9 -63.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -149.1 162.66 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -101.03 152.14 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.753 HG22 HG23 ' A' ' 45' ' ' VAL . 64.8 t -138.73 136.82 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.735 ' CE1' HG23 ' A' ' 83' ' ' VAL . 20.6 t80 -119.21 130.8 55.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -133.64 152.41 51.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.0 t -142.74 116.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 83' ' ' VAL . 9.4 ttt180 -36.87 -67.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -132.99 128.84 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.31 160.61 32.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -163.28 140.03 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . 57.6 mtm-85 -36.41 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.5 t -61.65 -54.32 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.31 -37.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 p -43.68 111.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.46 -150.4 6.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.627 ' OE2' HG21 ' A' ' 108' ' ' THR . 15.9 tt0 -133.23 109.14 9.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HD2' ' A' ' 60' ' ' LYS . 2.9 m-85 -87.26 157.89 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -132.54 134.78 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.12 111.45 14.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 m -126.5 128.15 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 55' ' ' GLN . 26.6 t -97.8 114.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -93.72 118.44 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.68 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.1 mm -114.6 160.37 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.1 mm-40 -30.77 -55.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.86 -30.48 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.472 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 85.6 mmm -84.15 162.51 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -159.98 151.91 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.87 154.78 46.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.8 p -135.97 158.74 43.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 26' ' ' LEU . . . -165.15 156.98 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.627 HG21 ' OE2' ' A' ' 93' ' ' GLU . 39.2 m -130.23 109.81 11.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.761 HG23 HD22 ' A' ' 30' ' ' LEU . 47.8 mt -94.62 116.81 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.17 131.66 39.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 44' ' ' LEU . 66.7 mt -127.93 134.64 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -120.72 130.2 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.743 ' CG1' HG12 ' A' ' 38' ' ' VAL . 58.3 t -108.52 126.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.2 m -118.16 137.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -50.73 149.11 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 102' ' ' ASN . 23.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -100.91 -31.52 11.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -157.81 133.8 6.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.99 64.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.75 150.98 68.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.14 119.78 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 98' ' ' VAL . 52.7 mt -92.74 91.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -70.96 109.62 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.69 138.91 26.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.76 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -108.52 -6.04 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.484 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 10.4 p80 -95.2 -22.9 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.113 HD21 HD22 ' A' ' 44' ' ' LEU . 26.8 mt -82.72 -36.5 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -42.15 -29.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' THR . 20.5 mm-40 -108.65 138.57 44.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' GLN . 62.3 m -34.8 109.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.58 105.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.4 mm -89.34 118.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -143.81 141.12 30.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -75.7 162.64 28.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 113' ' ' VAL . 3.1 m -77.54 150.9 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.36 -35.22 2.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -63.43 166.33 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.08 156.81 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.662 HD12 ' HB ' ' A' ' 83' ' ' VAL . 15.1 mt -118.85 145.57 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -149.15 114.52 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.113 HD22 HD21 ' A' ' 30' ' ' LEU . 75.6 mt -128.59 106.49 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.17 95.97 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.99 101.78 13.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 139.98 41.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 9.8 p90 -135.3 162.88 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -128.34 156.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.72 163.52 10.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mtmm -154.77 160.64 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.529 0.68 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.75 -49.09 0.24 Allowed 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.324 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -133.44 103.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.76 154.73 67.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.603 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.2 tt0 -97.25 156.25 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.62 HG21 ' CG2' ' A' ' 74' ' ' THR . 53.8 t -128.21 129.33 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.79 120.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 70.9 m95 -113.86 119.67 38.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -135.42 153.96 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -118.24 77.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.44 32.27 34.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.31 54.08 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.31 148.15 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 58' ' ' TRP . 4.8 mt -105.08 166.14 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -96.83 97.48 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -63.35 -9.74 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m -73.22 -39.05 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.541 ' HG3' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -107.06 -22.77 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 69' ' ' ARG . 22.9 t -102.4 142.6 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -119.46 101.98 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.82 102.51 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -88.61 101.11 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 56' ' ' VAL . 7.2 m -100.5 107.96 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.9 m -80.54 171.65 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -78.91 -1.42 35.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.55 -37.1 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -144.59 165.31 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 9.2 t -119.82 136.97 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -122.74 148.03 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 83' ' ' VAL . 27.6 t80 -129.46 130.99 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.6 t80 -136.64 154.35 50.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.662 ' HB ' HD12 ' A' ' 42' ' ' LEU . 47.4 t -142.67 132.51 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -52.79 -59.93 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -125.32 128.3 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -89.13 55.92 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 113' ' ' VAL . . . -50.96 166.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.747 ' HD2' HG11 ' A' ' 38' ' ' VAL . 1.8 mpp_? -59.26 -33.29 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -60.57 -43.02 97.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.67 -29.52 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 p -52.25 110.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.52 -154.55 9.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -127.66 118.36 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.48 127.21 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.23 114.97 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.9 tp -105.48 117.53 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.484 ' OG ' HG22 ' A' ' 106' ' ' THR . 27.1 m -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 55' ' ' GLN . 19.3 t -101.25 118.34 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 9.6 tt0 -97.58 119.01 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.588 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.8 mm -111.93 160.25 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 100' ' ' ILE . 46.1 mm-40 -30.8 -55.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.523 ' HB3' HD11 ' A' ' 18' ' ' ILE . 28.1 t30 -124.82 -32.36 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.516 ' HG3' HD13 ' A' ' 18' ' ' ILE . 49.4 mtp -84.67 167.27 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.61 ' HE2' HG23 ' A' ' 106' ' ' THR . 0.3 OUTLIER -159.74 152.08 20.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -136.57 162.92 31.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.61 HG23 ' HE2' ' A' ' 104' ' ' LYS . 10.5 p -141.01 163.9 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.69 156.35 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -127.69 133.63 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.5 mt -121.54 136.09 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -107.92 128.25 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.59 132.53 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -125.13 129.78 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 38' ' ' VAL . 44.1 t -103.0 130.43 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 38' ' ' VAL . 23.8 m -120.28 143.76 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' LYS . 37.6 mt-10 -67.45 136.39 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' GLU . 23.5 mtmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 51' ' ' LYS . 58.8 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -52.78 -47.8 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' ILE . 5.7 tp10 -150.79 132.11 7.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 158.36 57.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 116.37 4.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 4.4 tppt? -124.19 101.74 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 98' ' ' VAL . 91.3 mt -82.69 103.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 23' ' ' LYS . 1.5 mpt_? -81.75 130.49 35.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.38 138.41 23.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 54.0 Cg_endo -69.73 -170.11 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.92 -2.03 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 26.4 p80 -102.81 -8.98 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD22 ' A' ' 44' ' ' LEU . 33.4 mt -107.99 -2.76 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.43 -42.78 82.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.08 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -165.11 135.65 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.726 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 t80 -83.34 97.63 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -82.51 120.13 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -146.64 143.57 28.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -81.41 148.47 29.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' CG1' ' A' ' 113' ' ' VAL . 6.8 m -59.73 157.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.55 -49.32 3.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -49.87 143.72 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.48 126.02 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.1 mt -80.08 143.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -149.09 105.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 34' ' ' TYR . 91.6 mt -119.11 118.27 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.4 92.46 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 t -103.1 101.83 24.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.96 40.1 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -165.48 150.62 9.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.16 162.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.7 159.74 9.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mtmm -156.49 160.82 30.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.74 -45.98 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.382 -0.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 48.4 ttt180 -134.93 93.82 17.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.75 133.27 25.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -93.31 129.19 39.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 96' ' ' LEU . 94.1 t -97.18 141.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.45 135.56 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 65' ' ' LEU . 68.4 m95 -121.51 124.21 43.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -142.87 135.15 27.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 14.9 tptp -109.01 96.25 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.93 -33.35 4.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 47.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -170.64 154.75 4.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.571 0.7 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.5 Cg_endo -69.78 120.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 67' ' ' THR . 33.0 mt -39.26 146.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -28.84 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 80.6 p 48.64 34.67 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 p -121.5 -37.01 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -115.1 -22.54 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 72' ' ' VAL . 73.8 t -89.45 135.99 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -107.05 84.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 70' ' ' VAL . 82.3 t -86.74 100.77 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -88.67 95.98 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.464 HG21 ' HB ' ' A' ' 56' ' ' VAL . 19.5 m -100.34 126.86 46.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' ASP . 22.3 p -122.56 142.24 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' SER . 18.0 t0 -36.72 -40.3 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -70.38 -73.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.89 160.6 37.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -99.74 156.11 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.54 128.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 10.8 t80 -117.52 137.2 52.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -150.99 152.98 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 80.6 t -138.07 122.56 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 10.3 tpt180 -34.4 -66.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -132.39 124.33 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.21 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -158.18 141.16 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 5.9 mmm180 -37.23 -34.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -56.88 -54.74 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' SER . 56.2 m-20 -42.47 -46.47 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.1 p -35.7 119.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.03 -148.5 8.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' CD ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.61 114.34 14.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.3 m-85 -91.01 131.66 36.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -107.79 112.33 24.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 56' ' ' VAL . 46.9 tp -103.09 111.54 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -121.37 134.11 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.544 HG23 HD11 ' A' ' 24' ' ' ILE . 58.4 t -100.3 117.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 54' ' ' PRO . 2.9 mm -107.23 160.14 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 100' ' ' ILE . 24.7 mt-10 -31.73 -58.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -124.22 -27.34 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 80.7 mmm -85.85 165.83 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -159.89 140.99 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.71 155.8 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 47.1 p -136.19 153.74 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.62 146.91 25.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.542 HG23 ' CD ' ' A' ' 93' ' ' GLU . 94.5 m -115.09 137.46 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.8 mt -131.65 116.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -92.48 121.66 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 94' ' ' TYR . 97.6 mt -113.85 136.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -125.85 127.82 46.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.692 ' CG1' HG12 ' A' ' 38' ' ' VAL . 92.2 t -111.03 115.11 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 38' ' ' VAL . 32.0 m -104.12 147.14 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.24 173.22 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.569 HD13 ' HG3' ' A' ' 103' ' ' MET . 54.4 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -88.99 -46.92 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 11.7 tp10 -153.66 132.81 7.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.1 63.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 152.62 69.12 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -165.97 110.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -82.85 94.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.1 mmm180 -73.93 102.3 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.73 137.37 33.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -98.32 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -81.37 -11.47 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.08 20.41 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -89.83 -36.4 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.89 -72.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -165.67 145.49 6.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -95.06 100.89 12.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 mm -89.17 118.26 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -135.46 159.83 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -91.61 160.85 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.13 144.85 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.06 -39.9 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.51 160.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -87.55 137.29 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 15.2 mt -98.1 144.76 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -149.18 105.45 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.19 99.99 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -95.19 91.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.11 101.86 52.72 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.77 36.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -131.03 152.05 50.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 30.8 mm100 -120.35 156.86 30.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.98 150.98 5.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 2.4 mptp? -141.16 159.33 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.77 -49.22 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.379 -0.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -133.75 101.71 12.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 121.26 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -72.69 132.76 44.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.23 136.18 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -131.47 117.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.419 ' HB3' HD11 ' A' ' 65' ' ' LEU . 57.7 m95 -102.29 124.15 47.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.8 p -146.0 131.55 18.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -87.17 84.45 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.31 -42.08 3.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.31 41.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.68 155.01 21.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 58' ' ' TRP . 7.8 mt -106.54 173.95 6.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -112.83 90.38 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -51.53 -17.9 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -53.4 -34.29 57.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -125.05 -27.85 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 70.4 t -86.92 146.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -123.22 116.42 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.1 t -123.8 112.56 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -103.73 97.9 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -92.01 146.64 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -141.47 142.11 33.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.18 -35.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -72.95 -64.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -145.29 166.09 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.55 156.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.59 125.81 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 55.6 t80 -117.06 129.6 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -130.66 156.03 45.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.1 t -145.48 119.15 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' VAL . 39.0 ttt180 -35.68 -68.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -128.12 139.22 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.44 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -99.29 92.89 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.72 150.06 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . 18.0 mmm180 -36.31 -35.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.0 m-20 -39.46 -43.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -39.9 108.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.97 -148.75 5.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -133.17 114.52 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.66 118.66 34.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.44 119.71 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 64.7 tp -101.34 111.48 23.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.89 155.96 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -134.54 122.81 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.401 ' O ' HD13 ' A' ' 100' ' ' ILE . 6.7 tt0 -94.21 145.06 24.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 54' ' ' PRO . 11.2 mm -144.48 160.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.6 mm-40 -32.9 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.512 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.6 t-20 -121.99 27.8 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.3 mtp -144.22 163.04 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -157.3 152.65 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.71 157.67 46.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -142.12 156.53 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.26 167.84 27.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.4 m -129.89 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.48 111.19 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -89.22 121.51 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.1 mt -115.92 134.82 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -130.8 134.31 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.4 t -116.37 123.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.87 139.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.7 132.48 52.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD13 ' HG3' ' A' ' 103' ' ' MET . 64.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.823 0.345 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -86.82 -42.46 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 3.6 tp10 -151.39 128.6 5.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.9 68.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 148.7 65.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.4 tmtm? -160.45 112.89 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -84.35 103.44 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -90.21 121.57 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.68 139.34 21.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.721 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.71 -171.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 0.0 112.352 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -98.4 -5.68 32.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -99.92 -5.15 28.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 44' ' ' LEU . 20.8 mt -102.23 -28.69 12.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 14.5 mtp-105 -48.92 -33.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -106.63 149.42 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -41.39 115.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CE1' HD21 ' A' ' 44' ' ' LEU . 5.4 t80 -63.25 112.29 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.77 118.87 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -146.09 147.13 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -81.92 157.54 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.774 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.8 m -70.87 154.78 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 -43.83 2.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.76 145.67 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.93 132.5 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -99.34 147.28 25.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -146.35 123.19 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 30' ' ' LEU . 44.9 mt -138.6 108.24 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.4 p -102.65 105.79 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 t -104.1 101.74 27.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 154.25 68.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 56' ' ' VAL . 30.8 p90 -154.22 143.0 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 80.8 mm-40 -106.37 160.86 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 143.17 153.58 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.3 mptt -143.61 160.74 49.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.2 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.34 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -133.93 96.11 16.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.76 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -70.43 158.86 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 96' ' ' LEU . 31.6 t -133.52 123.69 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.45 121.03 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HE1' HG21 ' A' ' 79' ' ' THR . 59.9 m95 -102.64 125.39 49.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 p -135.26 151.0 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 11.6 tptm -114.42 81.06 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.94 -39.28 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.64 -36.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.759 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -100.52 165.78 13.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.759 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.4 Cg_endo -69.77 142.76 48.75 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 67' ' ' THR . 80.9 mt -44.59 155.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' A' ' 69' ' ' ARG . 3.3 m-20 -53.66 -27.52 27.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.3 p 46.21 31.59 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -111.17 -40.93 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' NH1' ' CG ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -121.69 -16.77 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -82.83 134.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -112.57 103.27 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.1 t -106.06 131.02 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -108.54 96.79 6.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -91.39 132.96 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.3 t -130.87 138.7 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 p-10 -34.55 -33.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 18.9 m-85 -80.92 -71.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 2.3 p30 -140.29 157.53 45.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.513 HG21 ' HE1' ' A' ' 58' ' ' TRP . 13.3 t -100.63 160.62 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.31 140.55 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 72.5 t80 -116.99 138.68 51.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -145.05 154.93 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.0 t -146.74 112.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -35.2 -59.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.55 122.71 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.29 164.92 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -161.22 143.42 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' ALA . 36.4 mtp85 -38.06 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.0 t -60.44 -54.04 50.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.1 m-20 -37.75 -47.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 17.3 m -35.87 117.36 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.28 -146.46 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -130.55 108.28 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.578 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.0 m-85 -87.82 121.32 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.9 121.93 43.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -110.7 127.88 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.519 ' N ' HD23 ' A' ' 96' ' ' LEU . 72.3 m -133.77 143.09 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.24 130.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.2 mm -134.72 160.19 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.1 mt-10 -32.76 -66.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -126.29 23.01 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.2 mtp -139.36 161.0 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -155.52 160.98 40.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -141.68 163.32 33.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.9 p -143.61 151.7 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -154.51 155.58 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.1 m -123.42 141.98 51.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.4 mt -136.61 136.25 48.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -110.0 123.53 49.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.99 130.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -124.09 131.61 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.774 ' CG1' HG12 ' A' ' 38' ' ' VAL . 34.9 t -114.98 143.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.77 141.48 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -57.88 147.28 29.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.14 -53.5 57.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 37.3 tp10 -139.68 136.97 17.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.78 148.66 65.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.442 ' CG ' ' HB3' ' A' ' 103' ' ' MET . 53.6 Cg_endo -69.75 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.226 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.47 120.15 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' OD2' ' A' ' 105' ' ' ASP . 62.4 mt -91.97 105.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 6.1 mmm180 -83.89 113.52 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.36 128.02 30.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.599 0.714 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HD2' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.73 -165.16 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -104.57 -8.32 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 20.0 p80 -89.1 -7.66 55.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.888 HD21 HD22 ' A' ' 44' ' ' LEU . 41.0 mt -105.1 -34.62 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -44.36 -45.06 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' THR . 4.8 pp0? -92.82 138.55 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' GLN . 51.0 m -35.2 122.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.37 114.6 6.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.1 mm -104.05 118.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.17 144.44 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -76.84 161.18 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.624 HG12 ' CG1' ' A' ' 113' ' ' VAL . 3.9 m -74.28 154.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.07 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.08 171.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -96.11 140.58 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 47.4 mt -96.9 148.19 23.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 4.8 p-10 -148.16 109.58 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.888 HD22 HD21 ' A' ' 30' ' ' LEU . 47.8 mt -129.62 108.58 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 80' ' ' VAL . 95.6 t -110.76 94.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 30' ' ' LEU . 2.7 t -99.34 101.78 14.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 160.41 49.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CE2' HG21 ' A' ' 56' ' ' VAL . 3.2 p90 -154.36 156.6 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -112.89 173.43 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.42 163.88 10.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.5 mtmm -159.39 160.22 28.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.69 -49.27 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.373 -0.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 16.5 mtm105 -133.82 95.73 17.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.704 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.73 124.6 11.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -72.58 139.28 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG13 HD21 ' A' ' 96' ' ' LEU . 91.1 t -107.94 142.74 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -131.52 125.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -112.54 120.27 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.3 p -140.1 135.89 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -111.51 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.85 3.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.31 44.57 84.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.36 147.87 3.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.718 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.52 63.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.47 158.23 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.68 -28.24 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 p 48.04 41.39 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -131.84 -39.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -117.39 -18.96 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -89.33 137.91 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -117.51 108.33 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 80' ' ' VAL . 6.2 p -126.88 114.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -95.33 102.56 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.7 m -87.9 127.71 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -114.92 154.55 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.64 -8.0 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -108.02 -49.59 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -145.95 165.96 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.502 HG21 HD11 ' A' ' 96' ' ' LEU . 2.5 t -119.35 130.03 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.5 t -115.08 136.71 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 19.4 t80 -124.62 137.71 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -147.58 157.54 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 61.6 t -146.68 121.27 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -41.0 -60.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -124.47 130.06 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -96.59 81.18 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -77.45 144.69 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 37.0 mtp180 -37.37 -32.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' ALA . 46.3 t -54.33 -57.08 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.3 m-20 -36.54 -38.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASP . 25.2 p -38.11 117.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.71 -148.8 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -133.59 112.34 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.07 115.31 27.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -102.63 116.9 33.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HG13 ' A' ' 56' ' ' VAL . 1.9 tt -103.97 123.62 47.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.633 ' OG ' HG22 ' A' ' 106' ' ' THR . 73.7 m -129.4 123.15 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.02 114.89 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.39 134.84 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 54' ' ' PRO . 15.3 mm -126.32 159.65 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 25.2 mt-10 -34.15 -47.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -130.76 -31.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.442 ' HB3' ' CG ' ' A' ' 22' ' ' PRO . 84.5 mmm -84.49 166.92 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -159.63 148.67 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.461 ' OD2' HD12 ' A' ' 24' ' ' ILE . 11.6 t0 -135.18 160.24 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.633 HG22 ' OG ' ' A' ' 97' ' ' SER . 16.7 p -145.11 147.77 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.21 154.1 34.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.1 m -123.82 140.3 53.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.99 134.22 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -110.08 128.69 55.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.26 137.67 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.38 133.21 47.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.624 ' CG1' HG12 ' A' ' 38' ' ' VAL . 53.9 t -114.18 131.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.4 m -111.41 129.27 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -61.59 130.62 46.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' A' ' 103' ' ' MET . 64.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 51' ' ' LYS . . . -81.07 -45.06 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 34.6 tt0 -164.39 137.64 4.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.81 148.28 64.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.7 165.64 30.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -173.04 105.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.7 mt -78.57 107.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -95.5 80.07 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -49.88 141.62 14.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.76 -164.58 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -114.59 -0.86 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 8.4 p80 -97.43 -30.55 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 44' ' ' LEU . 18.8 mt -79.67 -34.09 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 16.5 mtp-105 -40.72 -37.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 15.6 pt20 -101.87 140.06 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 3.5 m -35.41 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.49 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 112' ' ' ARG . 8.1 mm -89.29 120.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.31 148.53 29.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.08 161.01 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 87' ' ' ALA . 7.1 p -73.69 143.83 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.86 -10.69 17.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -72.73 148.55 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.51 132.66 48.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 86' ' ' ALA . 44.7 mt -99.56 144.95 28.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -146.82 106.92 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 30' ' ' LEU . 73.1 mt -127.89 104.08 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.82 97.42 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 t -100.76 102.19 18.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.742 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.58 57.66 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -140.02 141.58 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -101.53 170.31 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.7 162.5 10.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 42.4 mttt -157.7 157.58 29.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.77 -51.02 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.339 -0.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 3.7 tmm_? -135.09 94.48 15.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.807 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.72 127.26 14.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.568 ' O ' HG13 ' A' ' 98' ' ' VAL . 22.3 tt0 -70.01 136.62 50.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.702 HG13 HD21 ' A' ' 96' ' ' LEU . 62.5 t -111.24 139.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.7 134.22 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.979 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.4 m95 -117.48 132.19 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 p -139.8 150.17 44.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 27.4 tptp -113.67 89.99 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.83 38.88 76.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 50.09 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -171.61 156.19 4.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 54.0 Cg_endo -69.71 158.58 56.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 58' ' ' TRP . 18.5 mt -96.22 177.01 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' THR . 3.6 m-20 -114.06 77.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' ASP . 63.0 p -37.21 -37.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -43.85 -47.03 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.37 132.59 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -116.14 87.12 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.55 127.2 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -101.04 154.59 18.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -133.17 121.3 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -120.1 135.14 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.63 -40.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -70.86 -59.44 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -151.3 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.58 HG21 HD11 ' A' ' 96' ' ' LEU . 11.2 t -99.94 154.1 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.01 134.56 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -116.9 129.28 55.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -143.23 154.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 73.0 t -141.54 134.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.06 -43.65 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' H ' HG12 ' A' ' 83' ' ' VAL . 8.7 pt20 -147.41 123.45 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 42' ' ' LEU . . . -94.57 89.79 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.81 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -80.34 153.09 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' ALA . 53.7 mtm-85 -37.05 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ALA . 48.1 t -69.97 -51.79 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -43.11 -35.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 113' ' ' VAL . 2.2 t -57.9 140.72 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.81 -139.64 5.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.32 119.61 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.7 m-85 -97.85 150.27 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -133.36 116.52 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.979 HD12 ' CZ2' ' A' ' 58' ' ' TRP . 5.4 tt -106.55 115.28 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.467 ' OG ' HG22 ' A' ' 106' ' ' THR . 18.8 m -120.77 125.92 48.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 55' ' ' GLN . 58.4 t -92.65 112.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -95.28 129.93 42.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' PRO . 13.1 mt -133.92 160.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 12.9 mt-10 -26.2 -68.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -119.1 -17.88 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.493 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 92.9 mmm -91.86 156.79 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -154.89 159.1 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.483 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 6.3 t0 -149.68 158.39 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.467 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.7 p -143.94 158.67 43.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.13 161.13 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -130.39 151.69 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 74.6 mt -141.59 136.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -104.54 125.53 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 44' ' ' LEU . 34.4 mt -126.99 126.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' A' ' 35' ' ' ILE . 26.6 ttt180 -122.78 129.55 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' HB2' ' A' ' 91' ' ' SER . 50.3 t -107.99 120.71 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.89 144.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.33 125.18 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.548 ' H ' HG12 ' A' ' 38' ' ' VAL . 10.9 ptpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 19' ' ' ALA . 84.4 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -104.6 -37.64 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -152.72 134.25 8.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.65 63.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.5 Cg_endo -69.82 136.54 33.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 105.22 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 98' ' ' VAL . 26.3 mt -84.07 97.3 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.6 mmm180 -81.91 123.58 28.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.1 131.28 21.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.79 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -82.8 -45.21 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 19.1 p-80 -54.3 -18.37 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.702 HD21 HD22 ' A' ' 44' ' ' LEU . 12.7 mt -93.1 -45.01 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' LEU . 40.5 mtm180 -34.7 -40.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -98.62 167.1 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 m -60.25 104.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.84 115.83 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -98.5 125.37 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 114' ' ' VAL . 4.5 mmp_? -146.14 154.33 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -92.19 159.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 114' ' ' VAL . 59.2 t -67.93 143.29 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.25 -36.53 2.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.64 142.32 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.23 157.95 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.85 142.23 47.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.18 105.0 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.702 HD22 HD21 ' A' ' 30' ' ' LEU . 70.9 mt -127.6 104.35 7.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' VAL . 1.5 p -99.14 105.39 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.3 t -103.07 103.45 34.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.79 61.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 56' ' ' VAL . 24.6 p90 -142.32 143.74 32.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -114.32 155.14 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.97 157.93 8.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.649 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 9.2 mttm -147.78 160.78 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.81 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -131.64 95.99 21.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.608 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.78 136.26 32.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.291 . . . . 0.0 112.359 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' O ' HG13 ' A' ' 98' ' ' VAL . 3.1 tp-100 -79.61 151.27 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 96' ' ' LEU . 80.1 t -125.38 125.33 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.2 t -123.81 124.29 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -111.95 118.35 35.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 p -140.83 154.18 46.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.54 89.4 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 35.98 60.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.69 10.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.91 144.53 16.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 162.39 42.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.65 172.8 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' SER . 55.6 m-20 -104.47 76.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . 66.1 p -36.86 -31.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASP . 38.2 t -48.21 -50.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.69 -34.34 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.9 118.46 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -105.96 118.75 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.9 119.45 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.759 ' CB ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -88.18 96.4 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 m -105.16 117.75 34.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -119.72 179.86 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.85 7.13 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -120.52 -60.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 11.3 p-10 -146.36 165.56 28.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -119.26 142.58 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.759 HG22 ' CB ' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -121.93 154.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 63.6 t80 -118.48 129.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -131.06 151.88 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 75.5 t -147.41 127.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -55.54 -51.42 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -139.77 126.42 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.98 92.36 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.29 141.37 28.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ALA . 55.3 mtp85 -35.6 -40.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.1 m -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -40.09 -47.2 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.7 p -42.53 109.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.33 -144.97 4.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.39 103.5 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -88.01 120.57 29.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -106.27 118.68 37.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 56' ' ' VAL . 49.6 tp -101.92 114.97 29.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.07 153.45 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 24' ' ' ILE . 48.1 t -128.07 108.87 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -90.19 120.76 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.1 mm -118.25 160.32 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.8 mm-40 -31.36 -59.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -125.93 -21.32 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.475 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 56.1 mmm -90.95 166.17 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 105' ' ' ASP . 1.9 tmtm? -159.85 152.25 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 8.2 t0 -143.87 164.63 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -146.57 165.47 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -161.75 157.87 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.4 m -130.62 131.03 44.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 30' ' ' LEU . 57.2 mt -125.69 122.17 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -104.3 122.51 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 112' ' ' ARG . 92.0 mt -113.65 151.91 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 111' ' ' ILE . 41.5 ttt180 -135.67 131.68 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -112.1 124.89 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.1 m -108.05 140.28 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.69 152.87 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.7 pttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -85.8 -49.99 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -135.88 130.76 18.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.54 69.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.426 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.78 134.16 27.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -149.12 113.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.35 95.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -78.91 95.27 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.22 141.05 53.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.686 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -113.18 -13.0 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -88.03 -15.17 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.686 HD12 ' CG ' ' A' ' 27' ' ' PRO . 96.0 mt -96.33 -36.39 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' LEU . 79.6 mtt-85 -38.07 -45.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' THR . 11.5 pt20 -87.61 146.35 25.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' GLN . 17.9 m -35.6 110.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -71.26 113.0 7.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.33 131.22 48.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -145.3 148.34 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -89.13 158.22 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.43 142.26 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.16 -45.65 3.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.49 133.56 40.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.7 162.53 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.15 145.09 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -148.42 108.75 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.21 105.59 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.95 91.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.27 101.78 43.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 154.76 67.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.25 160.66 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -122.09 166.67 14.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.94 152.42 5.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mttt -149.48 160.49 34.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.717 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.77 -49.13 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.393 -0.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttp-105 -132.16 95.92 20.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.73 122.67 9.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -64.37 152.59 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -129.69 126.63 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -123.71 141.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 96' ' ' LEU . 34.3 m95 -127.68 118.73 24.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.4 p -145.35 134.84 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -107.06 80.17 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.87 50.94 3.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.26 62.93 5.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.39 145.49 1.49 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.45 3.7 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.5 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 3.1 p30 -112.41 83.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.4 p -48.82 -32.69 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.5 m -41.67 -51.48 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' NE ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -98.25 -40.39 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 72' ' ' VAL . 53.5 t -82.53 125.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -107.61 85.09 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.516 HG23 HG12 ' A' ' 70' ' ' VAL . 97.4 t -86.36 108.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -90.64 97.03 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -94.42 124.3 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.95 143.72 37.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.04 -35.57 11.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 17.3 p90 -81.82 -53.01 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.53 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 39.5 p30 -136.35 166.57 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -113.75 132.68 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.84 139.63 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.726 ' CE1' HG23 ' A' ' 83' ' ' VAL . 26.4 t80 -121.73 130.69 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -135.2 150.61 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.5 t -142.36 121.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' VAL . 8.7 ttt85 -36.03 -58.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -135.66 138.3 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.01 73.51 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.67 166.99 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 21.2 mtm105 -70.7 -24.84 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -72.15 -23.8 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.47 -38.0 65.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -41.75 140.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.22 -151.05 18.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.34 104.71 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.635 ' CD1' HD12 ' A' ' 111' ' ' ILE . 5.3 m-85 -87.19 120.11 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -102.32 119.13 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HB2' ' CH2' ' A' ' 58' ' ' TRP . 27.7 tp -99.79 119.35 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.78 167.04 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.1 t -145.61 108.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -90.95 131.85 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.8 mm -123.44 160.53 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 100' ' ' ILE . 4.0 mm-40 -29.7 -49.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -132.55 -33.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 40.1 mtp -84.97 166.26 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -159.79 151.42 20.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.75 158.24 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 p -140.2 161.22 38.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.6 158.59 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 54.7 m -129.71 139.71 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' TYR . 80.9 mt -130.02 138.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -109.43 127.81 54.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.635 HD12 ' CD1' ' A' ' 94' ' ' TYR . 63.1 mt -125.63 132.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.16 127.53 43.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.02 131.17 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.48 135.62 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' LYS . 12.2 mt-10 -61.68 121.79 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLU . 10.6 ptpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 20' ' ' GLU . 87.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.329 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -81.01 -32.16 34.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 18' ' ' ILE . 29.1 tt0 -163.32 133.63 3.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.22 69.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 154.78 67.48 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 25' ' ' ARG . 5.4 tptm -164.08 115.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.5 mt -86.78 105.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 23' ' ' LYS . 2.0 mmp_? -89.86 87.99 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 5.5 mt -93.36 139.11 22.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.74 151.46 69.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -67.06 -12.98 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.656 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 15.5 p80 -87.61 -6.25 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD12 ' HD2' ' A' ' 27' ' ' PRO . 14.4 mt -107.06 -35.28 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.09 -40.99 78.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.27 -75.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 34' ' ' TYR . 89.3 m -167.15 163.72 15.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' THR . 2.6 t80 -127.55 110.55 12.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 2.7 mm -99.78 125.7 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.96 138.85 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -67.63 166.0 15.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 114' ' ' VAL . 42.5 t -77.45 148.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.45 -37.35 3.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.8 145.59 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -75.12 130.83 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.478 ' OD1' HG23 ' A' ' 45' ' ' VAL . 38.7 t-20 -145.41 106.5 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 30' ' ' LEU . 35.0 mt -114.9 102.36 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.478 HG23 ' OD1' ' A' ' 43' ' ' ASN . 85.4 t -100.08 97.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.01 101.66 22.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 16.5 p90 -132.52 141.98 48.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.569 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 4.2 mp0 -104.79 171.13 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.16 167.96 12.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 19.4 mttt -154.36 160.07 31.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 -43.91 0.56 Allowed 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.351 -0.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -139.43 105.04 7.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.81 155.89 64.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -97.51 159.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.34 130.55 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.54 120.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 72.2 m95 -112.82 120.36 41.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 p -141.99 135.87 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 94' ' ' TYR . 15.3 mtpt -85.23 36.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.2 40.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.75 64.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.78 146.46 1.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.524 0.678 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.26 20.92 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 58' ' ' TRP . 13.1 mt -72.57 148.98 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.02 103.31 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.9 p -77.33 48.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -129.74 -32.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -120.29 -23.53 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 72' ' ' VAL . 59.9 t -88.12 138.22 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -123.51 82.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 HG12 ' A' ' 70' ' ' VAL . 66.6 t -88.31 120.43 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -108.75 95.95 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -86.59 126.34 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -113.92 137.69 51.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -39.96 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' SER . 46.8 m-85 -82.17 -59.69 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 13.7 p-10 -147.33 163.67 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -97.83 142.23 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.07 134.36 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE1' HG23 ' A' ' 83' ' ' VAL . 24.3 t80 -120.94 132.03 54.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -137.99 151.7 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 81' ' ' PHE . 85.5 t -137.94 123.1 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -36.46 -64.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.68 129.81 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.08 108.31 5.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.69 141.66 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -45.09 -23.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -72.97 -46.36 52.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 -35.27 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 m -46.73 108.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.72 -149.83 5.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.599 ' CD ' HG23 ' A' ' 108' ' ' THR . 13.2 tt0 -128.19 112.01 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CE1' HD12 ' A' ' 111' ' ' ILE . 4.8 m-85 -91.86 117.91 30.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.37 110.35 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 96' ' ' LEU . 2.2 tm? -96.41 121.47 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 106' ' ' THR . 19.5 m -129.12 143.75 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.01 110.38 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.02 117.29 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.5 mm -111.11 160.06 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' N ' HG22 ' A' ' 100' ' ' ILE . 36.7 mm-40 -32.32 -53.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -126.76 -27.47 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.477 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 86.4 mmm -86.49 162.81 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 106' ' ' THR . 5.8 tmtt? -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.65 162.16 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 97' ' ' SER . 3.8 p -143.84 163.21 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -162.01 160.57 27.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.599 HG23 ' CD ' ' A' ' 93' ' ' GLU . 72.2 m -130.37 121.49 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 110' ' ' ARG . 73.5 mt -108.76 155.73 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.48 ' N ' HG22 ' A' ' 109' ' ' ILE . 53.9 mtt180 -129.37 121.39 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 94' ' ' TYR . 84.0 mt -118.32 138.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 36.1 ttt180 -134.15 133.43 41.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.4 t -116.37 151.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 38' ' ' VAL . 11.4 m -137.64 153.47 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.58 129.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -147.54 111.0 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -100.45 169.45 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.2 139.45 13.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -172.89 148.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -110.77 161.4 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 157.28 8.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -147.48 164.7 32.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.336 . . . . 0.0 111.194 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.96 124.2 49.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.26 123.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -46.4 140.89 5.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.98 17.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.635 2.223 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.0 116.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.9 m -98.93 118.57 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.9 mt -154.2 136.43 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -52.77 145.26 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -110.83 150.56 28.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.602 HD13 ' HG3' ' A' ' 103' ' ' MET . 21.7 mt -75.72 148.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -83.44 -48.54 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -147.52 133.32 9.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.731 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.68 69.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.5 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.06 118.37 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.65 94.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -71.92 102.7 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -91.96 124.81 59.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.631 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.77 166.21 28.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -73.63 -23.47 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 27' ' ' PRO . 22.7 p80 -78.21 -8.48 58.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 44' ' ' LEU . 20.6 mt -107.93 -11.18 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -83.65 28.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -161.39 143.72 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -37.72 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.72 99.35 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -85.19 121.34 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.1 mmp_? -142.13 167.47 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -100.1 164.36 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.41 147.04 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.99 -39.43 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -54.22 158.72 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -88.86 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.19 146.98 25.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -148.17 105.75 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 30' ' ' LEU . 70.5 mt -124.29 121.14 34.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -116.53 96.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 t -102.83 101.78 23.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.625 0.726 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.13 41.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 56' ' ' VAL . 37.0 p90 -129.68 140.52 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.0 159.97 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.93 170.69 13.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 32.7 mtmt -157.1 159.77 30.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.79 0.25 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.333 -0.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 94.25 19.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.2 Cg_endo -69.79 124.03 10.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.98 153.43 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 48' ' ' PHE . 59.6 t -120.95 114.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.11 136.56 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -121.4 126.78 50.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 p -142.67 149.28 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 18.2 tptm -116.03 83.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.86 -23.84 29.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.4 -21.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.99 146.84 34.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.64 67.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.27 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 67' ' ' THR . 46.1 mt -54.33 140.72 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 65' ' ' LEU . 73.4 p 45.21 36.72 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -122.38 -37.98 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -116.76 -18.2 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.23 142.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.53 98.55 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.41 110.49 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -104.27 95.98 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.3 m -91.49 127.67 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.6 t -116.01 136.46 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' SER . 9.8 t70 -34.49 -41.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.76 -61.71 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -147.65 165.1 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.2 t -99.28 157.93 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -138.99 134.79 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 44' ' ' LEU . 37.6 t80 -119.45 132.81 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -145.67 156.47 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 47.6 t -145.62 134.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -51.12 -57.45 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -135.03 124.75 25.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.49 92.18 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -75.47 143.25 42.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -45.44 -28.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 90' ' ' ASP . 47.8 m -63.48 -54.56 34.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.7 m-20 -36.11 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.6 p -40.42 109.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.463 ' HA3' ' CE ' ' A' ' 60' ' ' LYS . . . -169.33 -139.31 2.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.1 tm-20 -133.52 123.1 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.4 m-85 -102.09 117.58 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -100.04 122.4 42.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -110.84 120.28 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 96' ' ' LEU . 35.3 m -122.32 137.17 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.31 122.21 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -93.08 136.4 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.6 mm -136.52 160.17 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.52 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.9 mm-40 -33.12 -67.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.41 18.99 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.602 ' HG3' HD13 ' A' ' 18' ' ' ILE . 24.9 mtp -132.63 160.52 36.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -154.86 151.32 28.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.8 p -138.12 161.09 37.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.05 152.17 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 93' ' ' GLU . 89.8 m -118.56 149.49 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.9 mt -140.76 125.5 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -95.28 127.69 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.719 HD12 ' CD1' ' A' ' 94' ' ' TYR . 66.7 mt -126.26 127.29 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -123.97 131.85 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.0 t -116.05 129.16 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.3 m -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.37 131.51 42.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -50.71 147.18 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.49 153.41 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -141.6 129.06 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -159.47 170.8 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.31 166.24 39.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p -169.99 176.64 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -163.12 173.73 13.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.51 151.61 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -133.8 172.41 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.684 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -129.04 114.14 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.48 106.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.8 144.18 28.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 168.94 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.4 116.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -95.59 134.51 38.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -121.49 146.64 26.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.28 149.7 49.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.68 155.9 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 42.9 mt -66.41 122.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.9 70.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -141.57 135.71 14.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.756 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 147.98 63.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' CG ' HG13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 148.47 65.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -159.68 114.08 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.31 96.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.21 111.65 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HD2' ' A' ' 27' ' ' PRO . 9.4 mt -98.74 143.14 25.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.9 Cg_endo -69.73 -165.65 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -116.42 3.15 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.8 p80 -106.72 -24.1 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' CG ' ' A' ' 27' ' ' PRO . 87.0 mt -82.28 -32.59 29.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -44.85 -46.62 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 17.9 mt-30 -83.1 142.76 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 8.3 m -35.61 112.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.94 118.71 10.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -103.43 120.72 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -141.14 146.67 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -80.14 158.5 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 114' ' ' VAL . 38.2 t -68.77 143.53 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.14 -26.11 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.18 144.01 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -73.26 134.33 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HB ' ' A' ' 83' ' ' VAL . 44.0 mt -91.22 148.4 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -148.33 112.4 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -127.4 111.61 14.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 80' ' ' VAL . 86.1 t -107.82 96.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.25 101.6 17.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.61 45.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.2 p90 -156.94 168.45 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -132.82 152.32 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.16 169.04 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.1 mtmt -162.45 161.2 20.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.81 -46.86 0.34 Allowed 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.321 -0.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -133.64 94.07 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.626 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.3 Cg_endo -69.78 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.03 142.57 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 96' ' ' LEU . 80.2 t -118.38 117.51 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.01 137.25 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.1 m95 -119.42 126.41 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -127.74 131.12 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 94' ' ' TYR . 18.3 tptm -102.8 81.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.48 34.16 17.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.23 8.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.31 154.25 3.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.03 66.78 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.85 171.16 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.7 m-20 -99.68 82.16 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.8 p -38.9 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' ASP . 7.6 t -51.47 -47.25 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -104.88 -24.18 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -89.82 135.51 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -118.27 111.97 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 80' ' ' VAL . 24.3 t -123.64 122.05 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -98.99 95.86 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 m -92.69 123.44 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t -120.86 144.07 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.62 -36.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.19 -66.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.446 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.9 p30 -143.13 166.05 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -110.42 155.52 22.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 45' ' ' VAL . 94.9 t -136.79 153.04 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 83' ' ' VAL . 16.0 t80 -132.01 129.83 40.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -138.4 158.14 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 69.2 t -143.15 143.62 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 16.4 ttm105 -56.09 -55.55 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.51 138.72 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.29 89.38 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.73 145.53 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -48.59 -19.43 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -77.43 -37.51 51.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.75 -37.61 63.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -40.68 107.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.13 -146.78 4.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -133.21 110.23 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.692 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -90.01 120.24 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -107.51 108.97 20.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -95.92 121.66 37.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 106' ' ' THR . 58.5 m -125.65 129.25 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.86 109.37 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.45 121.97 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.8 mm -112.98 160.66 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.554 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.2 mt-10 -30.85 -60.22 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -118.66 -33.17 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 66.3 mtp -84.78 167.76 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 16.9 tttt -156.21 151.1 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 4.7 t70 -135.25 155.68 50.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.518 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.0 p -139.09 148.05 42.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.86 143.78 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -113.6 142.33 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' TYR . 44.7 mt -131.0 135.63 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -106.28 134.36 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 94' ' ' TYR . 85.9 mt -133.7 142.16 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -136.34 140.43 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.54 139.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.8 m -122.43 163.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -80.61 161.2 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -78.17 128.64 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -83.05 46.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -165.52 135.01 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 p -173.57 169.37 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.7 137.2 2.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -154.73 115.65 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -151.75 172.1 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.49 91.44 2.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 10.5 t -136.46 126.75 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.11 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.96 116.35 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.33 128.42 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -86.78 149.13 47.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.42 17.51 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 p -79.48 8.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -52.24 91.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 17' ' ' GLU . 15.7 mt -126.66 138.02 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -87.43 31.05 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' H ' HG22 ' A' ' 15' ' ' ILE . 4.9 tp10 -93.37 143.85 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' HB2' ' A' ' 102' ' ' ASN . 53.1 mt -63.92 136.34 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.43 -42.58 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -146.39 132.25 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.436 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.4 Cg_endo -69.77 146.7 60.91 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -159.02 111.52 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mt -84.35 95.18 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -81.25 103.58 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.12 135.22 37.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.728 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.4 Cg_endo -69.81 -175.13 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -90.07 -10.56 44.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 6.7 p80 -96.07 -2.21 47.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 27' ' ' PRO . 77.2 mt -118.45 12.37 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -80.64 -36.91 31.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -110.6 168.37 9.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 m -47.36 118.86 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -73.23 115.93 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mm -92.81 128.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' VAL . 19.9 mmt180 -149.43 168.64 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -106.3 153.71 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.928 HG23 ' HA ' ' A' ' 87' ' ' ALA . 10.5 p -69.81 144.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.75 -11.36 14.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -83.22 143.14 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -60.09 147.67 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.809 HD12 ' HB ' ' A' ' 83' ' ' VAL . 20.1 mt -107.78 147.19 31.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -149.03 106.28 3.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 30' ' ' LEU . 35.4 mt -124.13 108.23 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 99.61 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 30' ' ' LEU . 13.6 t -109.25 101.72 46.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.46 40.12 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.1 p90 -130.22 159.14 37.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -122.22 166.39 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.26 159.15 8.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.5 mttm -149.39 159.29 36.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -47.94 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.323 -0.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -132.24 99.34 16.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 131.86 22.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 98' ' ' VAL . 21.5 tt0 -84.04 140.68 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 48' ' ' PHE . 85.1 t -117.24 129.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.49 131.61 72.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' HD23 ' A' ' 96' ' ' LEU . 83.9 m95 -113.72 118.98 35.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 p -127.38 125.81 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HB2' HD21 ' A' ' 65' ' ' LEU . 7.1 tmtt? -104.07 90.22 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 48.11 7.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.48 48.49 84.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.56 149.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.73 20.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 60' ' ' LYS . 1.8 mt -102.27 175.74 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' SER . 6.5 m-20 -108.26 86.84 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.3 p -40.02 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' ASP . 47.7 t -54.69 -45.53 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -99.26 -36.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -88.08 145.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -126.87 84.67 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.3 t -92.67 116.89 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.48 97.27 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -87.05 136.38 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 t -125.92 142.43 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.37 -58.61 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.41 165.09 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 t -97.79 144.49 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.22 132.82 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 44' ' ' LEU . 19.6 t80 -117.18 129.45 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CD1' ' N ' ' A' ' 83' ' ' VAL . 2.0 t80 -140.24 154.21 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.809 ' HB ' HD12 ' A' ' 42' ' ' LEU . 35.3 t -145.49 135.21 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -54.98 -52.4 63.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -140.83 122.61 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -95.17 84.5 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.928 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -72.14 145.12 48.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ALA . 65.0 mtp85 -33.89 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 65.1 p -60.54 -49.1 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 87' ' ' ALA . 7.3 t70 -45.9 -38.19 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -43.52 136.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.55 -144.55 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -130.52 115.11 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.0 m-85 -92.87 118.98 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -90.79 113.28 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 58' ' ' TRP . 2.3 tm? -99.66 114.88 28.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.8 m -130.25 137.56 50.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 55' ' ' GLN . 13.7 t -105.51 114.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -93.08 115.78 28.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.2 mm -109.01 159.95 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 22.5 mt-10 -33.92 -52.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.679 ' HB2' HD11 ' A' ' 18' ' ' ILE . 31.2 m-20 -125.48 -28.95 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.409 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 89.6 mmm -86.08 161.98 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.39 130.72 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.04 164.54 15.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 p -141.16 161.24 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 96' ' ' LEU . . . -164.63 155.3 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.2 m -123.58 141.45 51.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mt -132.49 139.2 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -112.09 126.06 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 94' ' ' TYR . 74.9 mt -120.89 128.8 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.97 124.38 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.6 m -113.54 131.02 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 38' ' ' VAL . 4.4 pt-20 -69.91 122.85 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -54.8 121.52 8.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.07 178.69 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.447 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m 52.53 42.43 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -157.81 135.33 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.85 129.02 2.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -174.87 121.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -166.87 117.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.54 -34.94 2.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -55.5 168.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.176 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.73 10.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.1 143.7 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -143.58 143.22 22.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -173.1 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.298 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.72 67.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 t -165.51 147.88 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.8 mp -124.44 151.65 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -37.23 138.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.19 144.56 29.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 102' ' ' ASN . 49.6 mt -77.55 127.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -65.07 -40.51 94.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 51' ' ' LYS . 20.9 tt0 -155.2 134.46 7.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.698 0.761 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.79 68.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.236 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.422 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.72 149.57 67.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -165.16 121.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.451 HD11 HG23 ' A' ' 98' ' ' VAL . 82.2 mt -95.78 96.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -74.95 97.5 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.17 137.33 32.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.6 Cg_endo -69.79 -167.83 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -104.62 -10.24 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -92.99 -8.51 42.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 HD22 ' A' ' 44' ' ' LEU . 16.2 mt -97.12 -37.58 10.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 15.1 mtp-105 -38.63 -49.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -86.69 152.52 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 m -45.99 120.19 2.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -72.92 107.96 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 112' ' ' ARG . 6.1 mm -98.72 126.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 114' ' ' VAL . 6.0 mmp_? -145.37 153.56 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HD2' ' CB ' ' A' ' 116' ' ' LYS . 35.3 mtmt -84.63 152.66 23.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 39' ' ' GLY . 32.9 t -61.97 154.73 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' A' ' 38' ' ' VAL . . . 83.44 -46.69 3.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.05 156.09 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -80.88 154.48 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 58.2 mt -110.31 102.25 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -104.07 119.48 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.754 HD22 HD21 ' A' ' 30' ' ' LEU . 15.9 mt -134.78 102.13 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.58 95.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 79' ' ' THR . 21.2 t -99.42 101.77 14.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 138.65 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 5.1 p90 -137.08 149.06 47.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -118.27 154.83 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.4 165.08 15.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 31.8 mmtp -155.72 153.14 25.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.709 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.78 -50.79 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.305 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -134.76 96.79 14.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 122.47 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.63 148.12 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 96' ' ' LEU . 90.1 t -116.65 137.84 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.81 120.44 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.748 ' CD1' HG11 ' A' ' 72' ' ' VAL . 61.5 m95 -110.68 118.24 35.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 58' ' ' TRP . 6.0 p -158.87 122.27 3.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -102.91 129.53 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.04 -9.38 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.04 35.5 3.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.69 146.57 20.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.66 4.2 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.919 HD23 HG21 ' A' ' 70' ' ' VAL . 8.2 mp -45.52 154.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.72 -13.38 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.6 p 44.54 39.22 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -120.7 -36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -116.21 -23.23 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.919 HG21 HD23 ' A' ' 65' ' ' LEU . 93.3 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -93.21 100.95 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 58' ' ' TRP . 32.0 t -107.11 111.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 4.5 mmm180 -96.86 96.29 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 m -83.37 108.8 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -112.52 134.48 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.4 m-85 -83.05 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 7.3 p-10 -151.04 165.74 32.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 46' ' ' VAL . 9.7 t -100.75 156.3 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -138.54 136.77 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.2 t80 -121.71 129.61 52.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -132.82 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 9.6 t -146.54 128.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.49 -61.13 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -133.67 126.87 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.82 85.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.01 136.67 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -41.62 -33.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -56.57 -51.8 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' SER . 27.8 t70 -44.19 -41.26 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' ASP . 26.4 p -36.19 119.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.61 -156.2 16.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.53 109.55 13.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 2.9 m-85 -89.51 120.68 31.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -108.04 111.26 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 56' ' ' VAL . 13.9 tp -95.69 118.04 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.77 125.37 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.451 HG23 HD11 ' A' ' 24' ' ' ILE . 29.1 t -96.34 106.74 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.29 126.31 35.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.4 mm -120.86 159.97 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 27.7 mm-40 -33.17 -49.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' HB3' HD11 ' A' ' 18' ' ' ILE . 7.5 t-20 -130.73 -31.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.422 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 88.6 mmm -84.01 165.57 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 ttpt -159.74 151.57 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 1.4 m-20 -142.82 159.91 41.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -140.71 163.6 32.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.13 161.28 28.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.8 m -128.26 137.9 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 116.81 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 17.3 mtm105 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -117.98 129.2 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . 34.9 ttt85 -126.73 130.54 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.53 124.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' ARG . 31.5 m -110.72 140.7 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.28 143.37 55.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -94.26 55.94 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.7 156.05 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -129.24 150.47 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -150.15 138.37 20.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.26 153.35 6.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -110.02 101.48 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -86.36 49.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.24 86.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.1 101.34 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 111.118 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.7 tp -162.24 112.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.14 85.04 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -57.34 117.26 17.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -178.3 2.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.645 2.23 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.22 84.38 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.1 m -77.65 147.72 35.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mm -99.65 149.46 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.33 158.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.31 149.11 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 102' ' ' ASN . 79.8 mt -76.62 138.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.1 -53.69 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.1 tp10 -138.67 132.09 16.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.13 64.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.77 116.25 4.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.26 118.93 27.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 106' ' ' THR . 84.4 mt -90.07 107.36 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -88.81 108.93 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.25 133.66 21.31 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.77 -168.76 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -95.37 -40.09 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.3 p-80 -60.02 -17.89 42.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.799 HD21 HD22 ' A' ' 44' ' ' LEU . 14.7 mt -90.15 -49.29 6.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.7 mtp85 -33.96 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . 33.7 mt-30 -100.25 161.11 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -52.49 120.84 6.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -74.06 100.6 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.33 125.43 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -147.92 143.32 27.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 116' ' ' LYS . 32.0 mtpt -78.6 154.08 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 114' ' ' VAL . 20.3 t -66.2 148.66 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.49 -39.38 2.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -57.28 150.38 18.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -73.45 147.89 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.1 mt -104.22 143.36 33.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -147.3 112.26 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.799 HD22 HD21 ' A' ' 30' ' ' LEU . 94.3 mt -130.77 113.78 14.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.78 94.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 5.3 t -100.06 101.76 15.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.72 146.53 60.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -141.53 155.33 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -120.05 174.26 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.6 162.93 10.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 25.9 mttt -155.71 160.81 30.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.79 -48.45 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -134.29 97.41 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.2 Cg_endo -69.83 141.37 44.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -96.64 135.04 39.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.5 t -100.72 153.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' HG12 ' A' ' 56' ' ' VAL . 61.5 t -144.19 121.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 65' ' ' LEU . 77.2 m95 -108.65 126.66 53.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 p -155.54 142.05 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -101.49 81.73 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.08 -43.18 2.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.73 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.1 147.38 19.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.87 13.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 58' ' ' TRP . 42.7 mt -44.54 151.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.91 -31.26 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 65' ' ' LEU . 68.1 p 50.22 32.51 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -118.69 -40.2 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -116.51 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.54 128.01 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.2 110.4 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.4 p -128.58 127.29 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -119.17 102.09 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' HB ' ' A' ' 79' ' ' THR . 6.6 m -82.77 127.6 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -101.45 -177.57 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -20.62 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -105.98 -49.86 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 14.5 p30 -141.88 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 74' ' ' THR . 7.5 t -107.6 163.78 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 72' ' ' VAL . 44.6 t -137.83 132.01 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 7.0 t80 -121.28 129.95 53.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.88 153.76 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 21.6 t -139.79 132.94 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -51.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -129.81 126.51 38.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.3 102.0 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 139.47 30.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -42.87 -38.29 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -56.06 -45.79 79.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 3.4 m-20 -39.84 -42.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' ASP . 98.4 p -37.21 119.1 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.98 -149.77 7.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -131.73 111.73 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.402 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.0 m-85 -88.15 118.97 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -100.51 122.97 44.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.8 tp -111.26 115.87 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 m -127.89 122.62 32.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.79 116.63 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -93.05 124.11 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.2 mm -115.5 160.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 53.3 mm-40 -33.11 -49.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' HB3' HD11 ' A' ' 18' ' ' ILE . 17.5 t-20 -130.27 -31.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.414 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 75.3 mmm -84.09 167.24 16.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -159.93 142.15 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -128.83 162.78 26.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.573 ' O ' HD12 ' A' ' 24' ' ' ILE . 82.7 p -138.76 166.08 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.09 12.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.3 m -130.31 141.84 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.57 132.92 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -103.17 117.81 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 94' ' ' TYR . 57.5 mt -118.46 121.53 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -118.06 131.58 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.73 132.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 14.7 m -115.65 158.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.84 124.56 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -45.4 -31.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 116' ' ' LYS . . . -88.69 90.09 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -167.56 173.29 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -107.92 151.33 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.95 89.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 71.9 m -137.69 168.19 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 42.3 m -36.77 -46.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.66 49.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -126.32 128.39 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -122.58 131.34 53.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' C ' ' CD ' ' A' ' 11' ' ' GLN . . . -172.4 131.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' CD ' ' C ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -167.6 141.09 2.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.96 8.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -145.22 105.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -133.67 131.46 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -119.76 133.48 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -101.27 126.33 48.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -108.22 157.28 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.1 mt -82.22 133.33 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.06 -51.42 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -143.26 131.34 11.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.16 69.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.75 46.24 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -157.13 120.65 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.4 99.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -82.05 105.7 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -86.21 141.73 35.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.723 ' CG ' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.76 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.46 3.1 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 4.4 p80 -106.01 -18.6 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CG ' ' A' ' 27' ' ' PRO . 92.8 mt -89.87 -34.28 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -45.98 -42.17 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 14.6 pt20 -92.26 142.95 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 4.8 m -34.79 107.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -69.68 114.49 7.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mm -100.62 127.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.14 142.4 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -75.43 158.98 31.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 114' ' ' VAL . 9.5 m -74.03 158.47 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.46 -36.76 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.13 155.25 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -77.18 154.54 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 83' ' ' VAL . 11.6 mt -111.98 123.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -117.59 119.34 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 30' ' ' LEU . 27.0 mt -133.81 101.12 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.73 92.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.54 101.79 19.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.9 Cg_endo -69.75 161.95 43.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 19.4 p90 -166.64 155.51 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.19 148.21 4.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.7 mtpp -148.62 161.04 34.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.74 -49.48 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.368 -0.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.02 95.17 34.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.77 126.73 13.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' HG13 ' A' ' 98' ' ' VAL . 4.9 tt0 -69.77 163.59 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 96' ' ' LEU . 84.7 t -143.23 132.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.86 128.11 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 96' ' ' LEU . 47.8 m95 -113.76 125.05 53.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -139.27 164.96 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 31.0 mtpt -119.16 38.89 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.73 -31.41 3.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.56 -36.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 151.81 38.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -178.63 2.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.93 178.7 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -114.33 81.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.1 p -40.32 -28.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 t -50.37 -49.21 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -97.75 -44.89 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -82.85 135.35 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.75 103.82 13.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 80' ' ' VAL . 90.5 t -119.02 107.91 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 80' ' ' VAL . 17.6 ptt180 -92.43 102.68 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -92.76 146.07 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.4 t -139.02 139.44 37.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' OD2' ' CE1' ' A' ' 77' ' ' PHE . 4.0 p-10 -39.53 -28.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE1' ' OD2' ' A' ' 76' ' ' ASP . 14.2 m-85 -79.04 -68.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 5.9 p-10 -141.48 164.51 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.02 153.94 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 72' ' ' VAL . 46.7 t -136.75 136.63 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -119.96 137.89 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -147.03 136.43 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -135.79 129.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -52.9 -58.03 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.9 128.86 48.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 74.67 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.45 153.71 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' ALA . 58.4 m -68.06 -43.8 77.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' HG21 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -50.12 -43.46 51.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.821 ' HB2' HG23 ' A' ' 113' ' ' VAL . 1.4 t -52.95 145.33 12.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 160.82 -136.44 4.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -133.05 103.55 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -87.66 114.56 24.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.48 124.1 44.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 56' ' ' VAL . 43.6 tp -112.65 139.04 48.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.3 OUTLIER -139.65 160.03 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' GLN . 86.5 t -132.53 109.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -90.66 127.71 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 54' ' ' PRO . 4.1 mm -122.53 160.45 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.7 mm-40 -30.24 -59.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -125.12 -19.04 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.1 mmm -95.89 166.08 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -160.08 152.85 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -140.47 160.07 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 97' ' ' SER . 3.2 p -143.63 162.66 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -166.06 148.24 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.2 m -123.44 134.76 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.42 147.48 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -117.87 123.17 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 94' ' ' TYR . 75.6 mt -120.51 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -125.67 130.53 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 91' ' ' SER . 99.5 t -110.89 134.12 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 38' ' ' VAL . 17.4 m -118.19 150.69 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -80.95 152.15 28.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -73.68 143.24 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.68 127.04 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -168.83 165.81 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -149.83 158.08 43.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.38 152.79 10.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -152.88 115.3 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -139.05 177.19 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.42 67.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -139.71 135.44 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.0 mt -153.55 137.6 16.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.56 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -66.39 146.69 99.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -149.48 131.53 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 t -105.15 147.73 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.748 HG22 ' H ' ' A' ' 17' ' ' GLU . 5.1 mp -123.09 133.6 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -106.39 30.91 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 15' ' ' ILE . 35.9 tt0 -66.74 156.58 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.74 HD13 ' HG3' ' A' ' 103' ' ' MET . 69.3 mt -48.09 132.34 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -79.38 -48.21 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 12.7 tp10 -149.26 130.43 7.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 150.09 67.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -150.6 106.73 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.83 87.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.0 mmm180 -65.23 109.1 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -101.19 135.72 19.85 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.46 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.3 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.32 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -107.84 1.22 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.44 7.35 30.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 27' ' ' PRO . 47.6 mt -132.68 12.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -80.77 -34.48 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -101.22 -68.37 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 35' ' ' ILE . 92.8 m -166.28 140.43 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.02 98.99 11.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -84.07 130.45 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -152.71 151.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -81.72 164.78 21.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 113' ' ' VAL . 3.6 m -81.81 152.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.95 -25.24 4.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.28 160.66 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -85.73 126.05 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.49 143.22 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -148.59 110.33 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 81' ' ' PHE . 46.4 mt -120.85 114.53 21.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -109.91 90.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.14 101.75 28.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.81 67.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -143.13 146.5 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -110.28 167.99 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 137.02 154.49 6.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.6 mptt -144.62 160.51 47.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.64 101.35 11.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.593 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.76 121.75 8.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.23 . . . . 0.0 112.322 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -76.13 135.9 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 74' ' ' THR . 86.3 t -101.2 149.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -151.04 120.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.433 ' CE2' HD13 ' A' ' 96' ' ' LEU . 84.4 m95 -106.22 139.72 40.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 p -151.52 143.55 23.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.451 ' HZ1' ' HA3' ' A' ' 92' ' ' GLY . 15.4 tttp -108.46 75.43 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.03 -45.77 1.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.99 42.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -166.18 158.75 12.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.9 Cg_endo -69.76 140.11 41.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 67' ' ' THR . 29.1 mt -58.52 158.64 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -20.53 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 65' ' ' LEU . 10.9 p 39.42 40.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -128.32 -36.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -115.98 -21.8 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 72' ' ' VAL . 96.6 t -89.49 132.07 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -103.36 83.21 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 70' ' ' VAL . 59.7 t -87.11 104.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -103.81 98.26 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 56' ' ' VAL . 40.6 m -99.78 144.53 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.6 p -134.95 155.47 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.93 -19.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -85.27 -65.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -149.63 165.95 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -97.82 150.07 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.39 131.67 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 44' ' ' LEU . 19.1 t80 -119.83 129.48 54.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -139.27 151.25 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.492 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 71.0 t -147.34 124.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -37.95 -66.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -129.33 128.71 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.8 91.58 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -81.71 148.67 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' ALA . 83.1 mtm-85 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 m -46.39 -50.68 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' SER . 12.8 t70 -38.07 -49.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' ASP . 19.5 m -35.8 118.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.451 ' HA3' ' HZ1' ' A' ' 60' ' ' LYS . . . -173.96 -148.92 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.594 ' OE2' HG23 ' A' ' 108' ' ' THR . 4.0 tm-20 -129.3 115.12 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.92 125.1 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.98 119.2 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 58' ' ' TRP . 57.5 tp -105.21 124.36 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.546 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.6 OUTLIER -121.72 167.61 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 77.9 t -144.14 117.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -92.0 136.19 33.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.6 mm -138.58 160.21 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.508 ' N ' HG22 ' A' ' 100' ' ' ILE . 7.8 mm-40 -31.45 -67.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.606 ' HB2' HD11 ' A' ' 18' ' ' ILE . 36.1 m120 -129.45 28.24 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.74 ' HG3' HD13 ' A' ' 18' ' ' ILE . 21.5 mtp -141.67 157.75 44.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -158.39 148.6 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -143.26 143.37 31.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 97' ' ' SER . 14.0 p -124.9 149.57 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -140.29 154.89 46.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' OE2' ' A' ' 93' ' ' GLU . 78.7 m -120.93 132.99 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -120.8 116.45 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.94 148.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 12.9 tpt180 -129.85 144.72 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 38' ' ' VAL . 61.4 t -134.8 119.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' VAL . 33.4 m -116.65 142.04 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.76 134.75 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -67.57 -47.12 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.87 171.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -115.82 167.72 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -111.11 -60.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.42 168.76 7.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -171.64 164.35 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 m -155.44 178.05 10.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.83 -164.43 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -162.69 163.32 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 10' ' ' ALA . 2.3 tt -138.85 145.37 39.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.618 ' N ' HD23 ' A' ' 9' ' ' LEU . . . -143.42 179.13 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -134.93 134.86 22.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.98 32.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.77 119.95 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -161.02 167.06 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 15' ' ' ILE . 5.2 mp -94.17 138.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.95 146.99 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -118.04 175.1 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 102' ' ' ASN . 80.0 mt -88.78 146.28 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . . . -77.71 -42.79 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' ' N ' ' A' ' 51' ' ' LYS . 4.0 tp10 -149.81 131.78 7.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.2 67.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.3 Cg_endo -69.81 142.75 48.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -157.64 110.6 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.3 mt -84.98 100.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -76.39 101.59 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.32 127.27 71.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.729 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' CD ' HD12 ' A' ' 30' ' ' LEU . 54.4 Cg_endo -69.75 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -100.6 -9.74 21.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.9 p80 -97.48 2.03 49.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.908 HD21 HD22 ' A' ' 44' ' ' LEU . 97.0 mt -120.19 4.54 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -77.62 -15.38 59.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -135.81 174.54 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -57.38 115.53 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.1 123.77 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -113.62 119.87 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.3 mmt180 -147.28 164.1 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -96.69 146.76 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 114' ' ' VAL . 30.1 t -57.83 152.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.97 -41.74 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.08 142.17 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 5.2 mt-30 -73.99 127.32 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 15.8 mt -79.64 147.96 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.29 107.63 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.908 HD22 HD21 ' A' ' 30' ' ' LEU . 33.6 mt -129.51 102.15 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.2 p -106.61 100.63 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 79' ' ' THR . 2.3 t -99.8 101.82 15.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.725 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.87 41.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 12.5 p90 -126.17 162.23 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -125.13 154.26 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 147.38 170.23 15.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 31.5 mmtp -152.46 154.77 32.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.77 -44.45 0.51 Allowed 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.335 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -142.53 106.29 5.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 133.98 26.94 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 4.1 tp-100 -80.45 150.31 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 58.9 t -122.12 135.49 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.18 121.02 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -108.88 136.14 48.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 p -143.21 147.94 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 21.7 tptp -114.91 88.01 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 39.93 35.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.11 49.41 9.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.86 154.81 1.84 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.31 57.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -92.49 174.03 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.26 95.24 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 p -55.6 -14.28 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -64.76 -17.0 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -134.38 -41.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.83 133.6 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -118.41 98.62 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -99.59 120.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -99.09 97.2 8.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -93.51 123.79 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 p -123.23 143.19 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -26.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -80.51 -68.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -143.9 165.24 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.9 t -98.02 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 132.76 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.59 129.31 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -144.87 148.41 33.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' HB ' HD12 ' A' ' 42' ' ' LEU . 96.9 t -138.04 129.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -40.03 -61.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -132.6 132.6 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.487 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -82.2 88.11 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.58 173.93 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.6 ' HE ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmt85 -69.19 -16.78 63.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 91' ' ' SER . 3.2 m -85.02 -45.48 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.8 m-20 -35.14 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.5 t -60.69 145.7 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.12 -142.61 8.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.518 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 3.2 tt0 -132.97 105.74 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 4.3 m-85 -87.78 121.68 30.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.84 126.42 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 tp -120.69 110.19 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.2 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.85 114.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.95 120.18 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 54' ' ' PRO . 7.9 mm -115.98 160.0 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 100' ' ' ILE . 11.8 mt-10 -32.77 -53.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 4.5 m120 -127.02 -29.04 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.47 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 96.3 mmm -85.42 163.67 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -159.9 137.53 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.08 163.44 22.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.9 p -137.68 160.3 39.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.32 151.77 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 42.4 m -129.71 131.04 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.98 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -109.52 134.01 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.1 mt -126.85 145.62 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -138.74 133.68 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.561 ' CG1' HG22 ' A' ' 38' ' ' VAL . 36.3 t -114.43 121.66 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.5 m -95.51 142.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 15.8 mt-10 -62.66 135.43 57.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -83.96 36.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.54 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -142.88 166.03 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -133.49 176.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.96 90.72 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 p -173.11 144.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -111.89 161.67 16.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.47 -178.27 18.37 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.9 154.77 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -128.47 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.78 127.73 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.63 151.43 78.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.87 38.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -106.8 139.02 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -165.79 140.57 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -131.27 127.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -39.49 143.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.75 161.01 17.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 102' ' ' ASN . 24.2 mt -82.26 140.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.08 -29.29 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 18' ' ' ILE . 24.3 tp10 -159.51 132.46 4.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.68 65.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 151.77 69.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.24 112.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.48 109.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -91.74 97.09 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 27' ' ' PRO . 4.3 mt -87.76 144.75 35.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.692 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -107.16 2.55 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.6 p80 -108.56 1.29 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 27' ' ' PRO . 25.6 mt -127.9 30.31 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -102.4 -20.57 14.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -124.38 -57.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 m -168.82 142.29 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . 8.8 t80 -105.69 102.34 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -84.19 118.81 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -137.81 144.37 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -78.7 150.17 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.5 m -68.42 153.92 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.75 -42.82 2.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.65 160.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.52 131.84 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 13.0 mt -84.72 148.54 26.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -147.96 106.82 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 HD21 ' A' ' 30' ' ' LEU . 28.5 mt -124.06 102.57 7.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 80' ' ' VAL . 59.3 t -101.99 97.57 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.32 101.8 33.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 144.5 53.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 21.7 p90 -131.22 162.63 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -128.66 162.07 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.61 162.87 9.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.0 mmtm -146.7 153.98 47.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.76 -49.34 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.339 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.83 103.4 12.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.76 122.94 9.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 98' ' ' VAL . 44.8 tp60 -70.29 147.5 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -116.43 144.33 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -139.42 146.11 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 96' ' ' LEU . 68.2 m95 -131.19 138.22 49.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.0 p -145.42 133.97 22.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -111.9 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.65 31.71 7.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 16.69 77.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.78 144.81 34.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.13 66.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.618 HD23 HG21 ' A' ' 70' ' ' VAL . 2.3 mp -86.22 162.29 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' SER . 29.6 t70 -100.48 11.43 39.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 p 39.83 28.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.4 t -97.33 -40.52 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -112.86 -15.6 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.618 HG21 HD23 ' A' ' 65' ' ' LEU . 65.6 t -98.4 138.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' A' ' 71' ' ' HIS . 5.0 t-80 -113.02 102.91 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -118.41 145.92 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -129.84 100.07 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -89.59 132.42 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 82.5 p -127.54 138.19 52.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.8 p-10 -36.83 -33.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.0 m-85 -73.77 -68.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -145.75 165.09 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.492 HG21 HD11 ' A' ' 96' ' ' LEU . 10.2 t -98.86 144.34 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 45' ' ' VAL . 43.1 t -132.13 136.55 56.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 83' ' ' VAL . 10.9 t80 -119.98 131.92 55.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -145.79 150.25 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 81' ' ' PHE . 55.6 t -137.03 149.36 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -56.75 -53.93 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.5 131.63 40.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -85.3 44.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.33 152.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -41.71 -51.36 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' ASP . 51.8 p -41.69 -53.87 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -35.46 -48.53 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASP . 29.9 p -37.74 117.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.59 -149.78 6.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 6.0 tt0 -133.52 112.04 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.3 m-85 -96.48 119.82 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.78 114.73 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 97' ' ' SER . 3.2 tt -95.91 128.18 42.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.496 ' N ' HD23 ' A' ' 96' ' ' LEU . 55.5 m -131.04 118.66 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 55' ' ' GLN . 79.7 t -92.78 113.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -94.02 129.32 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.7 mm -118.42 160.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 100' ' ' ILE . 17.3 mt-10 -32.6 -48.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.565 ' HB3' HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -130.97 -31.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 87.0 mmm -84.84 166.47 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.09 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -138.14 161.75 35.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.8 p -143.83 158.5 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.59 153.12 12.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 90.4 m -124.17 136.45 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.12 144.15 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.5 mtm-85 -111.14 117.3 32.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.531 HD12 ' CD1' ' A' ' 94' ' ' TYR . 83.2 mt -116.58 121.61 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -121.02 128.76 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.827 ' CG1' HG12 ' A' ' 38' ' ' VAL . 78.0 t -103.33 144.18 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 38' ' ' VAL . 29.4 m -133.86 141.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.08 137.31 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 1.1 tmtp? -49.59 123.53 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 100.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -172.41 149.26 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -159.86 160.53 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.69 166.9 18.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -167.23 118.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -152.86 128.08 9.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.73 -143.36 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -117.88 110.86 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.26 88.37 7.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.4 101.94 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -165.16 130.46 1.97 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.56 0.695 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.03 4.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.98 95.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.2 m -116.03 139.71 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.88 131.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 3.7 tpp85 -83.18 24.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 16' ' ' ARG . 1.3 mp0 -116.71 154.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt -83.18 136.72 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.0 -49.49 76.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.4 tp10 -156.76 133.58 6.42 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.651 0.739 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.52 68.79 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -169.07 132.65 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.532 HD13 ' CB ' ' A' ' 107' ' ' ALA . 22.3 mt -105.65 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -78.15 106.73 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.26 142.56 26.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.73 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -105.56 -5.94 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.8 p80 -101.13 0.54 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 27' ' ' PRO . 93.2 mt -119.05 -0.39 11.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -70.35 -48.06 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -87.44 -67.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 19.8 m -168.8 154.22 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HD21 ' A' ' 44' ' ' LEU . 3.0 t80 -105.71 97.29 7.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 37.1 mm -88.66 121.79 39.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -147.91 148.45 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -77.68 159.27 29.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.933 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.9 m -75.41 160.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -39.41 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.54 178.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.7 134.7 42.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.68 103.21 15.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 3.1 p30 -105.44 115.31 30.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 81' ' ' PHE . 4.0 mt -129.19 124.04 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.19 93.25 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.62 101.73 19.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 148.01 64.72 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.8 p90 -143.79 156.96 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -123.64 152.74 41.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.47 157.19 8.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 14.2 mtpt -151.77 160.87 30.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.73 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.359 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -130.71 91.68 36.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.72 121.62 8.32 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -77.79 137.96 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.52 139.99 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.4 t -128.51 123.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -109.14 132.3 54.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 p -152.51 144.83 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -109.06 80.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.26 -31.04 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.06 42.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.465 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.78 147.34 8.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.83 33.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.6 149.67 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.14 -19.92 8.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.3 p 43.79 30.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -111.55 -43.04 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -112.18 -23.11 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 72' ' ' VAL . 84.7 t -84.54 136.84 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -116.32 83.36 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 70' ' ' VAL . 86.0 t -85.12 116.23 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -102.51 98.01 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -91.38 141.76 28.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' PHE . 22.7 p -137.35 135.74 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 29.8 t70 -35.58 -33.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 91.7 m-85 -74.48 -74.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 25.1 p30 -135.52 163.54 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.3 t -99.04 150.76 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -133.04 137.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG23 ' A' ' 83' ' ' VAL . 71.5 t80 -120.72 131.59 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -137.57 146.89 44.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' CE2' ' A' ' 81' ' ' PHE . 42.7 t -147.39 126.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -42.7 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.17 135.05 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.08 84.26 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -81.33 139.8 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' ALA . 5.7 mtm105 -34.62 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 87' ' ' ALA . 34.8 t -58.85 -49.3 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 9.7 m-20 -51.44 -41.64 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -37.86 140.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.15 -149.28 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -125.97 110.37 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.51 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.8 m-85 -89.02 116.17 27.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -95.85 118.46 32.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 tp -108.38 117.08 33.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.84 142.74 50.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.8 t -112.1 125.63 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 100' ' ' ILE . 44.6 tt0 -97.33 145.13 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 54' ' ' PRO . 18.5 mm -142.83 160.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.544 ' N ' HG22 ' A' ' 100' ' ' ILE . 12.9 mm-40 -33.04 -66.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -125.91 24.35 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.6 mtp -140.39 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.77 138.03 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.88 161.73 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.5 p -134.12 160.71 36.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.532 ' CB ' HD13 ' A' ' 24' ' ' ILE . . . -159.93 143.99 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.2 m -114.45 137.22 52.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 73.0 mt -133.18 122.98 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -98.3 129.29 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 94' ' ' TYR . 94.3 mt -122.61 123.33 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 29.6 ttt180 -114.07 132.78 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.933 ' CG1' HG12 ' A' ' 38' ' ' VAL . 56.0 t -113.6 127.77 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.9 m -114.98 145.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.66 154.48 41.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.68 103.31 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.46 154.95 43.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -120.8 -55.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -105.66 164.21 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.86 40.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -95.2 146.62 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -98.13 108.97 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.1 -108.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -137.78 149.81 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 9' ' ' LEU . 1.2 pt? -114.36 42.83 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.35 151.72 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -141.1 141.39 23.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 134.04 27.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.8 t -88.69 124.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -87.57 145.93 25.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.64 142.18 43.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -103.14 152.99 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -44.14 145.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.83 133.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -76.58 -39.0 53.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HB3' ' C ' ' A' ' 50' ' ' GLY . 24.4 tt0 -149.44 129.23 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.66 0.743 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 150.66 67.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 54.0 Cg_endo -69.76 112.04 2.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -120.93 120.69 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.34 94.06 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' CD ' HE22 ' A' ' 49' ' ' GLN . 10.6 mmm180 -78.62 108.65 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' A' ' 107' ' ' ALA . 7.6 mt -105.83 134.03 19.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.54 0.686 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.73 156.27 63.84 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.04 -24.74 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.642 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 18.2 p80 -79.7 -4.79 53.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HG23 ' A' ' 109' ' ' ILE . 25.1 mt -113.98 2.39 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -88.41 -0.99 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -133.16 -74.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -166.54 144.48 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 44' ' ' LEU . 3.1 t80 -98.58 103.61 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.5 mm -85.93 125.14 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.5 mmp_? -148.35 159.54 43.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -94.22 146.87 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 ' CG1' ' A' ' 113' ' ' VAL . 10.3 m -61.57 157.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.24 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.35 142.64 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.47 132.38 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.76 148.43 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -147.25 110.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.608 ' CD1' HD11 ' A' ' 111' ' ' ILE . 69.7 mt -124.99 100.38 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG23 HG22 ' A' ' 80' ' ' VAL . 8.1 p -101.86 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 109' ' ' ILE . 2.4 t -112.18 101.64 52.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 143.22 49.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -144.35 149.9 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.413 HE22 ' CD ' ' A' ' 25' ' ' ARG . 28.8 mp0 -107.06 158.52 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 153.77 157.03 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mttm -158.75 160.65 29.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.82 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.317 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -130.87 93.42 31.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 141.69 45.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.7 tp60 -88.99 144.82 25.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.2 t -111.21 153.82 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' HG12 ' A' ' 56' ' ' VAL . 58.2 t -138.31 126.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -122.83 119.17 29.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.8 p -148.97 131.36 15.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HD2' ' CE1' ' A' ' 94' ' ' TYR . 58.0 tttm -98.04 85.39 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.52 54.04 5.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.45 41.57 97.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.15 145.58 10.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.94 2.09 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.74 174.75 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.72 80.65 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.6 p -51.5 -46.04 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.65 -41.1 5.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.07 143.17 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -124.21 106.64 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 118.34 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -101.24 98.07 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 m -95.7 128.49 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -130.81 149.74 52.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -19.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -87.9 -63.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -149.1 162.66 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -101.03 152.14 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.753 HG22 HG23 ' A' ' 45' ' ' VAL . 64.8 t -138.73 136.82 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.735 ' CE1' HG23 ' A' ' 83' ' ' VAL . 20.6 t80 -119.21 130.8 55.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -133.64 152.41 51.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.0 t -142.74 116.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 83' ' ' VAL . 9.4 ttt180 -36.87 -67.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -132.99 128.84 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.31 160.61 32.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -163.28 140.03 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . 57.6 mtm-85 -36.41 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.5 t -61.65 -54.32 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.31 -37.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 p -43.68 111.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.46 -150.4 6.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.627 ' OE2' HG21 ' A' ' 108' ' ' THR . 15.9 tt0 -133.23 109.14 9.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HD2' ' A' ' 60' ' ' LYS . 2.9 m-85 -87.26 157.89 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -132.54 134.78 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.12 111.45 14.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 m -126.5 128.15 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 55' ' ' GLN . 26.6 t -97.8 114.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -93.72 118.44 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.68 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.1 mm -114.6 160.37 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.1 mm-40 -30.77 -55.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.86 -30.48 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.472 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 85.6 mmm -84.15 162.51 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -159.98 151.91 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.87 154.78 46.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.8 p -135.97 158.74 43.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 26' ' ' LEU . . . -165.15 156.98 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.627 HG21 ' OE2' ' A' ' 93' ' ' GLU . 39.2 m -130.23 109.81 11.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.761 HG23 HD22 ' A' ' 30' ' ' LEU . 47.8 mt -94.62 116.81 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.17 131.66 39.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 44' ' ' LEU . 66.7 mt -127.93 134.64 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -120.72 130.2 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.743 ' CG1' HG12 ' A' ' 38' ' ' VAL . 58.3 t -108.52 126.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.2 m -118.16 137.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -50.73 149.11 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -65.98 131.41 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -165.46 158.0 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -173.3 172.92 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -163.61 176.46 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.21 172.99 43.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -153.03 165.43 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -173.06 148.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.88 145.52 17.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 p -119.5 128.27 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -152.26 151.84 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.2 146.61 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 67.1 mt-30 -155.65 105.12 2.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.656 0.741 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 11' ' ' GLN . 53.2 Cg_endo -69.78 141.78 46.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -79.3 139.56 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.4 m -128.04 145.63 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm -102.46 120.68 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -86.97 27.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -70.49 147.14 49.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 102' ' ' ASN . 23.9 mt -68.49 152.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -100.91 -31.52 11.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -157.81 133.8 6.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.99 64.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.75 150.98 68.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.14 119.78 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 98' ' ' VAL . 52.7 mt -92.74 91.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -70.96 109.62 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.69 138.91 26.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.76 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -108.52 -6.04 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.484 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 10.4 p80 -95.2 -22.9 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.113 HD21 HD22 ' A' ' 44' ' ' LEU . 26.8 mt -82.72 -36.5 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -42.15 -29.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' THR . 20.5 mm-40 -108.65 138.57 44.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' GLN . 62.3 m -34.8 109.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.58 105.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.4 mm -89.34 118.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -143.81 141.12 30.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -75.7 162.64 28.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 113' ' ' VAL . 3.1 m -77.54 150.9 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.36 -35.22 2.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -63.43 166.33 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.08 156.81 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.662 HD12 ' HB ' ' A' ' 83' ' ' VAL . 15.1 mt -118.85 145.57 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -149.15 114.52 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.113 HD22 HD21 ' A' ' 30' ' ' LEU . 75.6 mt -128.59 106.49 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.17 95.97 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.99 101.78 13.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 139.98 41.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 9.8 p90 -135.3 162.88 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -128.34 156.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.72 163.52 10.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mtmm -154.77 160.64 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.529 0.68 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.75 -49.09 0.24 Allowed 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.324 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -133.44 103.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.76 154.73 67.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.603 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.2 tt0 -97.25 156.25 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.62 HG21 ' CG2' ' A' ' 74' ' ' THR . 53.8 t -128.21 129.33 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.79 120.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 70.9 m95 -113.86 119.67 38.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -135.42 153.96 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -118.24 77.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.44 32.27 34.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.31 54.08 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.31 148.15 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 58' ' ' TRP . 4.8 mt -105.08 166.14 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -96.83 97.48 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -63.35 -9.74 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m -73.22 -39.05 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.541 ' HG3' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -107.06 -22.77 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 69' ' ' ARG . 22.9 t -102.4 142.6 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -119.46 101.98 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.82 102.51 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -88.61 101.11 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 56' ' ' VAL . 7.2 m -100.5 107.96 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.9 m -80.54 171.65 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -78.91 -1.42 35.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.55 -37.1 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -144.59 165.31 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 9.2 t -119.82 136.97 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -122.74 148.03 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 83' ' ' VAL . 27.6 t80 -129.46 130.99 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.6 t80 -136.64 154.35 50.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.662 ' HB ' HD12 ' A' ' 42' ' ' LEU . 47.4 t -142.67 132.51 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -52.79 -59.93 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -125.32 128.3 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -89.13 55.92 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 113' ' ' VAL . . . -50.96 166.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.747 ' HD2' HG11 ' A' ' 38' ' ' VAL . 1.8 mpp_? -59.26 -33.29 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -60.57 -43.02 97.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.67 -29.52 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 p -52.25 110.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.52 -154.55 9.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -127.66 118.36 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.48 127.21 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.23 114.97 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.9 tp -105.48 117.53 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.484 ' OG ' HG22 ' A' ' 106' ' ' THR . 27.1 m -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 55' ' ' GLN . 19.3 t -101.25 118.34 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 9.6 tt0 -97.58 119.01 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.588 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.8 mm -111.93 160.25 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 100' ' ' ILE . 46.1 mm-40 -30.8 -55.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.523 ' HB3' HD11 ' A' ' 18' ' ' ILE . 28.1 t30 -124.82 -32.36 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.516 ' HG3' HD13 ' A' ' 18' ' ' ILE . 49.4 mtp -84.67 167.27 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.61 ' HE2' HG23 ' A' ' 106' ' ' THR . 0.3 OUTLIER -159.74 152.08 20.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -136.57 162.92 31.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.61 HG23 ' HE2' ' A' ' 104' ' ' LYS . 10.5 p -141.01 163.9 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.69 156.35 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -127.69 133.63 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.5 mt -121.54 136.09 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -107.92 128.25 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.59 132.53 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -125.13 129.78 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 38' ' ' VAL . 44.1 t -103.0 130.43 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 38' ' ' VAL . 23.8 m -120.28 143.76 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' LYS . 37.6 mt-10 -67.45 136.39 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' GLU . 23.5 mtmm -36.47 -46.63 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.57 178.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -140.32 117.07 10.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -135.76 138.88 43.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.43 58.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -158.21 108.11 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -134.75 133.4 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 58.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -83.86 38.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.48 111.73 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.55 89.42 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.34 126.88 27.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 127.13 14.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.9 107.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -77.81 127.02 31.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 15' ' ' ILE . 67.2 mt -118.07 35.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -102.91 160.27 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -130.1 154.62 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 51' ' ' LYS . 58.8 mt -55.31 138.09 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -52.78 -47.8 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' ILE . 5.7 tp10 -150.79 132.11 7.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 158.36 57.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 116.37 4.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 4.4 tppt? -124.19 101.74 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 98' ' ' VAL . 91.3 mt -82.69 103.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 23' ' ' LYS . 1.5 mpt_? -81.75 130.49 35.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.38 138.41 23.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 54.0 Cg_endo -69.73 -170.11 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.92 -2.03 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 26.4 p80 -102.81 -8.98 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD22 ' A' ' 44' ' ' LEU . 33.4 mt -107.99 -2.76 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.43 -42.78 82.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.08 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -165.11 135.65 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.726 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 t80 -83.34 97.63 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -82.51 120.13 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -146.64 143.57 28.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -81.41 148.47 29.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' CG1' ' A' ' 113' ' ' VAL . 6.8 m -59.73 157.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.55 -49.32 3.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -49.87 143.72 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.48 126.02 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.1 mt -80.08 143.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -149.09 105.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 34' ' ' TYR . 91.6 mt -119.11 118.27 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.4 92.46 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 t -103.1 101.83 24.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.96 40.1 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -165.48 150.62 9.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.16 162.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.7 159.74 9.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mtmm -156.49 160.82 30.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.74 -45.98 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.382 -0.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 48.4 ttt180 -134.93 93.82 17.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.75 133.27 25.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -93.31 129.19 39.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 96' ' ' LEU . 94.1 t -97.18 141.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.45 135.56 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 65' ' ' LEU . 68.4 m95 -121.51 124.21 43.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -142.87 135.15 27.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 14.9 tptp -109.01 96.25 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.93 -33.35 4.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 47.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -170.64 154.75 4.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.571 0.7 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.5 Cg_endo -69.78 120.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 67' ' ' THR . 33.0 mt -39.26 146.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -28.84 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 80.6 p 48.64 34.67 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 p -121.5 -37.01 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -115.1 -22.54 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 72' ' ' VAL . 73.8 t -89.45 135.99 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -107.05 84.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 70' ' ' VAL . 82.3 t -86.74 100.77 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -88.67 95.98 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.464 HG21 ' HB ' ' A' ' 56' ' ' VAL . 19.5 m -100.34 126.86 46.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' ASP . 22.3 p -122.56 142.24 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' SER . 18.0 t0 -36.72 -40.3 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -70.38 -73.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.89 160.6 37.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -99.74 156.11 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.54 128.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 10.8 t80 -117.52 137.2 52.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -150.99 152.98 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 80.6 t -138.07 122.56 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 10.3 tpt180 -34.4 -66.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -132.39 124.33 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.21 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -158.18 141.16 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 5.9 mmm180 -37.23 -34.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -56.88 -54.74 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' SER . 56.2 m-20 -42.47 -46.47 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.1 p -35.7 119.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.03 -148.5 8.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' CD ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.61 114.34 14.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.3 m-85 -91.01 131.66 36.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -107.79 112.33 24.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 56' ' ' VAL . 46.9 tp -103.09 111.54 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -121.37 134.11 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.544 HG23 HD11 ' A' ' 24' ' ' ILE . 58.4 t -100.3 117.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 54' ' ' PRO . 2.9 mm -107.23 160.14 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 100' ' ' ILE . 24.7 mt-10 -31.73 -58.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -124.22 -27.34 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 80.7 mmm -85.85 165.83 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -159.89 140.99 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.71 155.8 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 47.1 p -136.19 153.74 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.62 146.91 25.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.542 HG23 ' CD ' ' A' ' 93' ' ' GLU . 94.5 m -115.09 137.46 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.8 mt -131.65 116.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -92.48 121.66 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 94' ' ' TYR . 97.6 mt -113.85 136.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -125.85 127.82 46.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.692 ' CG1' HG12 ' A' ' 38' ' ' VAL . 92.2 t -111.03 115.11 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 38' ' ' VAL . 32.0 m -104.12 147.14 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.24 173.22 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -103.47 41.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.18 131.58 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 61.21 41.88 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -141.53 128.76 21.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.65 82.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -168.97 125.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -114.36 130.18 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 174.42 26.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 9' ' ' LEU . 9.7 t -121.79 -41.75 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' N ' HG23 ' A' ' 8' ' ' THR . 23.2 mt -80.24 90.26 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.3 43.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -125.98 151.47 71.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 150.19 67.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.93 70.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -156.44 153.34 28.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -106.92 134.73 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -117.05 163.83 15.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -140.2 150.13 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.569 HD13 ' HG3' ' A' ' 103' ' ' MET . 54.4 mt -64.81 153.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -88.99 -46.92 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 11.7 tp10 -153.66 132.81 7.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.1 63.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 152.62 69.12 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -165.97 110.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -82.85 94.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.1 mmm180 -73.93 102.3 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.73 137.37 33.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -98.32 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -81.37 -11.47 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.08 20.41 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -89.83 -36.4 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.89 -72.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -165.67 145.49 6.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -95.06 100.89 12.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 mm -89.17 118.26 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -135.46 159.83 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -91.61 160.85 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.13 144.85 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.06 -39.9 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.51 160.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -87.55 137.29 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 15.2 mt -98.1 144.76 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -149.18 105.45 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.19 99.99 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -95.19 91.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.11 101.86 52.72 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.77 36.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -131.03 152.05 50.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 30.8 mm100 -120.35 156.86 30.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.98 150.98 5.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 2.4 mptp? -141.16 159.33 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.77 -49.22 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.379 -0.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -133.75 101.71 12.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 121.26 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -72.69 132.76 44.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.23 136.18 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -131.47 117.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.419 ' HB3' HD11 ' A' ' 65' ' ' LEU . 57.7 m95 -102.29 124.15 47.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.8 p -146.0 131.55 18.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -87.17 84.45 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.31 -42.08 3.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.31 41.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.68 155.01 21.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 58' ' ' TRP . 7.8 mt -106.54 173.95 6.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -112.83 90.38 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -51.53 -17.9 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -53.4 -34.29 57.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -125.05 -27.85 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 70.4 t -86.92 146.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -123.22 116.42 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.1 t -123.8 112.56 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -103.73 97.9 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -92.01 146.64 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -141.47 142.11 33.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.18 -35.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -72.95 -64.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -145.29 166.09 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.55 156.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.59 125.81 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 55.6 t80 -117.06 129.6 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -130.66 156.03 45.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.1 t -145.48 119.15 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' VAL . 39.0 ttt180 -35.68 -68.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -128.12 139.22 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.44 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -99.29 92.89 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.72 150.06 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . 18.0 mmm180 -36.31 -35.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.0 m-20 -39.46 -43.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -39.9 108.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.97 -148.75 5.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -133.17 114.52 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.66 118.66 34.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.44 119.71 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 64.7 tp -101.34 111.48 23.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.89 155.96 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -134.54 122.81 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.401 ' O ' HD13 ' A' ' 100' ' ' ILE . 6.7 tt0 -94.21 145.06 24.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 54' ' ' PRO . 11.2 mm -144.48 160.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.6 mm-40 -32.9 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.512 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.6 t-20 -121.99 27.8 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.3 mtp -144.22 163.04 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -157.3 152.65 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.71 157.67 46.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -142.12 156.53 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.26 167.84 27.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.4 m -129.89 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.48 111.19 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -89.22 121.51 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.1 mt -115.92 134.82 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -130.8 134.31 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.4 t -116.37 123.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.87 139.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.7 132.48 52.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -76.08 -37.16 58.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 155.79 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 78.3 p 35.57 42.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -134.33 103.01 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.86 124.71 7.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -99.3 136.37 39.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -83.2 -51.38 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 171.0 35.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.51 139.48 39.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.8 tt 66.86 37.36 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' C ' ' HG3' ' A' ' 11' ' ' GLN . . . 55.55 38.08 29.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 65.4 mt-30 -151.03 138.22 11.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.74 40.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.504 ' O ' HD13 ' A' ' 15' ' ' ILE . 82.4 t -75.81 121.98 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -40.75 125.66 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 13' ' ' VAL . 19.8 mm -102.47 157.91 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' N ' HG22 ' A' ' 15' ' ' ILE . 3.6 ttm180 -90.1 25.32 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -80.37 152.12 29.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD13 ' HG3' ' A' ' 103' ' ' MET . 64.9 mt -42.07 142.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -86.82 -42.46 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 3.6 tp10 -151.39 128.6 5.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.9 68.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 148.7 65.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.4 tmtm? -160.45 112.89 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -84.35 103.44 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -90.21 121.57 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.68 139.34 21.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.721 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.71 -171.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 0.0 112.352 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -98.4 -5.68 32.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -99.92 -5.15 28.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 44' ' ' LEU . 20.8 mt -102.23 -28.69 12.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 14.5 mtp-105 -48.92 -33.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -106.63 149.42 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -41.39 115.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CE1' HD21 ' A' ' 44' ' ' LEU . 5.4 t80 -63.25 112.29 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.77 118.87 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -146.09 147.13 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -81.92 157.54 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.774 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.8 m -70.87 154.78 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 -43.83 2.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.76 145.67 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.93 132.5 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -99.34 147.28 25.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -146.35 123.19 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 30' ' ' LEU . 44.9 mt -138.6 108.24 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.4 p -102.65 105.79 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 t -104.1 101.74 27.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 154.25 68.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 56' ' ' VAL . 30.8 p90 -154.22 143.0 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 80.8 mm-40 -106.37 160.86 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 143.17 153.58 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.3 mptt -143.61 160.74 49.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.2 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.34 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -133.93 96.11 16.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.76 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -70.43 158.86 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 96' ' ' LEU . 31.6 t -133.52 123.69 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.45 121.03 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HE1' HG21 ' A' ' 79' ' ' THR . 59.9 m95 -102.64 125.39 49.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 p -135.26 151.0 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 11.6 tptm -114.42 81.06 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.94 -39.28 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.64 -36.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.759 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -100.52 165.78 13.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.759 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.4 Cg_endo -69.77 142.76 48.75 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 67' ' ' THR . 80.9 mt -44.59 155.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' A' ' 69' ' ' ARG . 3.3 m-20 -53.66 -27.52 27.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.3 p 46.21 31.59 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -111.17 -40.93 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' NH1' ' CG ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -121.69 -16.77 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -82.83 134.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -112.57 103.27 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.1 t -106.06 131.02 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -108.54 96.79 6.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -91.39 132.96 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.3 t -130.87 138.7 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 p-10 -34.55 -33.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 18.9 m-85 -80.92 -71.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 2.3 p30 -140.29 157.53 45.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.513 HG21 ' HE1' ' A' ' 58' ' ' TRP . 13.3 t -100.63 160.62 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.31 140.55 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 72.5 t80 -116.99 138.68 51.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -145.05 154.93 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.0 t -146.74 112.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -35.2 -59.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.55 122.71 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.29 164.92 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -161.22 143.42 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' ALA . 36.4 mtp85 -38.06 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.0 t -60.44 -54.04 50.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.1 m-20 -37.75 -47.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 17.3 m -35.87 117.36 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.28 -146.46 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -130.55 108.28 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.578 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.0 m-85 -87.82 121.32 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.9 121.93 43.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -110.7 127.88 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.519 ' N ' HD23 ' A' ' 96' ' ' LEU . 72.3 m -133.77 143.09 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.24 130.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.2 mm -134.72 160.19 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.1 mt-10 -32.76 -66.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -126.29 23.01 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.2 mtp -139.36 161.0 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -155.52 160.98 40.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -141.68 163.32 33.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.9 p -143.61 151.7 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -154.51 155.58 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.1 m -123.42 141.98 51.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.4 mt -136.61 136.25 48.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -110.0 123.53 49.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.99 130.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -124.09 131.61 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.774 ' CG1' HG12 ' A' ' 38' ' ' VAL . 34.9 t -114.98 143.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.77 141.48 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -57.88 147.28 29.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 167.19 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.25 134.9 44.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -144.4 151.09 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -144.48 151.67 39.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 -132.59 44.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 42.83 41.57 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -82.76 118.32 23.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.05 149.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -119.67 102.02 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.82 34.67 3.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.14 95.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -127.74 90.2 48.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.0 85.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -94.52 140.54 29.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mm -128.0 129.14 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -44.13 149.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.99 143.58 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt -78.95 131.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.14 -53.5 57.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 37.3 tp10 -139.68 136.97 17.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.78 148.66 65.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' CG ' ' HB3' ' A' ' 103' ' ' MET . 53.6 Cg_endo -69.75 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.226 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.47 120.15 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' OD2' ' A' ' 105' ' ' ASP . 62.4 mt -91.97 105.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 6.1 mmm180 -83.89 113.52 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.36 128.02 30.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.599 0.714 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HD2' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.73 -165.16 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -104.57 -8.32 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.577 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 20.0 p80 -89.1 -7.66 55.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.888 HD21 HD22 ' A' ' 44' ' ' LEU . 41.0 mt -105.1 -34.62 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -44.36 -45.06 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' THR . 4.8 pp0? -92.82 138.55 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' GLN . 51.0 m -35.2 122.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.37 114.6 6.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.1 mm -104.05 118.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.17 144.44 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -76.84 161.18 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.624 HG12 ' CG1' ' A' ' 113' ' ' VAL . 3.9 m -74.28 154.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.07 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.08 171.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -96.11 140.58 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 47.4 mt -96.9 148.19 23.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 4.8 p-10 -148.16 109.58 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.888 HD22 HD21 ' A' ' 30' ' ' LEU . 47.8 mt -129.62 108.58 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 80' ' ' VAL . 95.6 t -110.76 94.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 30' ' ' LEU . 2.7 t -99.34 101.78 14.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 160.41 49.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CE2' HG21 ' A' ' 56' ' ' VAL . 3.2 p90 -154.36 156.6 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -112.89 173.43 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.42 163.88 10.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.5 mtmm -159.39 160.22 28.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.69 -49.27 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.373 -0.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 16.5 mtm105 -133.82 95.73 17.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.704 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.73 124.6 11.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -72.58 139.28 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG13 HD21 ' A' ' 96' ' ' LEU . 91.1 t -107.94 142.74 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -131.52 125.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -112.54 120.27 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.3 p -140.1 135.89 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -111.51 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.85 3.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.31 44.57 84.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.36 147.87 3.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.718 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.52 63.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.47 158.23 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.68 -28.24 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 p 48.04 41.39 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -131.84 -39.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -117.39 -18.96 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -89.33 137.91 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -117.51 108.33 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 80' ' ' VAL . 6.2 p -126.88 114.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -95.33 102.56 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.7 m -87.9 127.71 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -114.92 154.55 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.64 -8.0 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -108.02 -49.59 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -145.95 165.96 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.502 HG21 HD11 ' A' ' 96' ' ' LEU . 2.5 t -119.35 130.03 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.5 t -115.08 136.71 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 19.4 t80 -124.62 137.71 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -147.58 157.54 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 61.6 t -146.68 121.27 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -41.0 -60.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -124.47 130.06 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -96.59 81.18 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -77.45 144.69 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 37.0 mtp180 -37.37 -32.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' ALA . 46.3 t -54.33 -57.08 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.3 m-20 -36.54 -38.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASP . 25.2 p -38.11 117.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.71 -148.8 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -133.59 112.34 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.07 115.31 27.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -102.63 116.9 33.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HG13 ' A' ' 56' ' ' VAL . 1.9 tt -103.97 123.62 47.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.633 ' OG ' HG22 ' A' ' 106' ' ' THR . 73.7 m -129.4 123.15 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.02 114.89 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.39 134.84 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 54' ' ' PRO . 15.3 mm -126.32 159.65 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 25.2 mt-10 -34.15 -47.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -130.76 -31.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.442 ' HB3' ' CG ' ' A' ' 22' ' ' PRO . 84.5 mmm -84.49 166.92 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -159.63 148.67 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.461 ' OD2' HD12 ' A' ' 24' ' ' ILE . 11.6 t0 -135.18 160.24 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.633 HG22 ' OG ' ' A' ' 97' ' ' SER . 16.7 p -145.11 147.77 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.21 154.1 34.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.1 m -123.82 140.3 53.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.99 134.22 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -110.08 128.69 55.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.26 137.67 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.38 133.21 47.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.624 ' CG1' HG12 ' A' ' 38' ' ' VAL . 53.9 t -114.18 131.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.4 m -111.41 129.27 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -61.59 130.62 46.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -47.0 94.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.97 119.67 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -138.07 125.57 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -169.89 151.02 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.73 107.69 0.7 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -172.75 167.69 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 p -111.54 129.51 56.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.29 40.27 16.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -135.01 157.26 47.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.173 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.63 108.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.49 148.42 22.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.54 145.87 33.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.708 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.4 t -44.79 109.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -157.75 169.12 25.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.4 mt -75.14 144.05 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -104.8 161.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -75.29 150.86 38.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' A' ' 103' ' ' MET . 64.5 mt -54.83 139.3 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 51' ' ' LYS . . . -81.07 -45.06 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 34.6 tt0 -164.39 137.64 4.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.81 148.28 64.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.7 165.64 30.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -173.04 105.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.7 mt -78.57 107.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 mmm-85 -95.5 80.07 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -49.88 141.62 14.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.76 -164.58 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -114.59 -0.86 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 8.4 p80 -97.43 -30.55 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 44' ' ' LEU . 18.8 mt -79.67 -34.09 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 16.5 mtp-105 -40.72 -37.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 15.6 pt20 -101.87 140.06 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 3.5 m -35.41 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.49 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 112' ' ' ARG . 8.1 mm -89.29 120.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.31 148.53 29.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.08 161.01 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 87' ' ' ALA . 7.1 p -73.69 143.83 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.86 -10.69 17.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -72.73 148.55 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.51 132.66 48.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 86' ' ' ALA . 44.7 mt -99.56 144.95 28.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -146.82 106.92 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 30' ' ' LEU . 73.1 mt -127.89 104.08 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.82 97.42 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 t -100.76 102.19 18.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.742 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.58 57.66 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -140.02 141.58 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -101.53 170.31 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.7 162.5 10.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 42.4 mttt -157.7 157.58 29.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.77 -51.02 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.339 -0.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 3.7 tmm_? -135.09 94.48 15.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.807 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.72 127.26 14.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.568 ' O ' HG13 ' A' ' 98' ' ' VAL . 22.3 tt0 -70.01 136.62 50.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.702 HG13 HD21 ' A' ' 96' ' ' LEU . 62.5 t -111.24 139.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.7 134.22 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.979 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.4 m95 -117.48 132.19 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 p -139.8 150.17 44.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 27.4 tptp -113.67 89.99 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.83 38.88 76.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 50.09 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -171.61 156.19 4.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 54.0 Cg_endo -69.71 158.58 56.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 58' ' ' TRP . 18.5 mt -96.22 177.01 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' THR . 3.6 m-20 -114.06 77.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' ASP . 63.0 p -37.21 -37.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -43.85 -47.03 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.37 132.59 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -116.14 87.12 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.55 127.2 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -101.04 154.59 18.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -133.17 121.3 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -120.1 135.14 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.63 -40.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -70.86 -59.44 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -151.3 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.58 HG21 HD11 ' A' ' 96' ' ' LEU . 11.2 t -99.94 154.1 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.01 134.56 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -116.9 129.28 55.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -143.23 154.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 73.0 t -141.54 134.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.06 -43.65 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' H ' HG12 ' A' ' 83' ' ' VAL . 8.7 pt20 -147.41 123.45 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 42' ' ' LEU . . . -94.57 89.79 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.81 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -80.34 153.09 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' ALA . 53.7 mtm-85 -37.05 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ALA . 48.1 t -69.97 -51.79 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -43.11 -35.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 113' ' ' VAL . 2.2 t -57.9 140.72 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.81 -139.64 5.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.32 119.61 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.7 m-85 -97.85 150.27 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -133.36 116.52 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.979 HD12 ' CZ2' ' A' ' 58' ' ' TRP . 5.4 tt -106.55 115.28 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.467 ' OG ' HG22 ' A' ' 106' ' ' THR . 18.8 m -120.77 125.92 48.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 55' ' ' GLN . 58.4 t -92.65 112.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -95.28 129.93 42.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' PRO . 13.1 mt -133.92 160.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 12.9 mt-10 -26.2 -68.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -119.1 -17.88 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.493 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 92.9 mmm -91.86 156.79 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -154.89 159.1 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.483 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 6.3 t0 -149.68 158.39 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.467 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.7 p -143.94 158.67 43.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.13 161.13 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -130.39 151.69 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 74.6 mt -141.59 136.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -104.54 125.53 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 44' ' ' LEU . 34.4 mt -126.99 126.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' A' ' 35' ' ' ILE . 26.6 ttt180 -122.78 129.55 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' HB2' ' A' ' 91' ' ' SER . 50.3 t -107.99 120.71 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.89 144.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.33 125.18 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.548 ' H ' HG12 ' A' ' 38' ' ' VAL . 10.9 ptpt -38.11 104.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' LYS . . . -34.44 120.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -172.5 146.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -155.72 144.85 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.57 151.14 11.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.88 161.63 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -39.82 -61.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.02 -103.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -55.84 141.76 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.086 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 pp -142.26 144.05 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.57 164.37 8.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -160.52 136.68 6.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 133.86 26.59 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 15' ' ' ILE . 89.2 t -111.24 127.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -109.86 108.91 19.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.445 HG12 HG12 ' A' ' 13' ' ' VAL . 49.6 mm -120.39 138.73 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptt-85 -48.86 159.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -73.17 144.09 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 19' ' ' ALA . 84.4 mt -49.27 160.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -104.6 -37.64 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -152.72 134.25 8.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.65 63.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.5 Cg_endo -69.82 136.54 33.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 105.22 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 98' ' ' VAL . 26.3 mt -84.07 97.3 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.6 mmm180 -81.91 123.58 28.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.1 131.28 21.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.79 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -82.8 -45.21 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 19.1 p-80 -54.3 -18.37 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.702 HD21 HD22 ' A' ' 44' ' ' LEU . 12.7 mt -93.1 -45.01 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' LEU . 40.5 mtm180 -34.7 -40.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -98.62 167.1 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 m -60.25 104.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.84 115.83 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -98.5 125.37 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 114' ' ' VAL . 4.5 mmp_? -146.14 154.33 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -92.19 159.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 114' ' ' VAL . 59.2 t -67.93 143.29 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.25 -36.53 2.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.64 142.32 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.23 157.95 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.85 142.23 47.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.18 105.0 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.702 HD22 HD21 ' A' ' 30' ' ' LEU . 70.9 mt -127.6 104.35 7.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' VAL . 1.5 p -99.14 105.39 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.3 t -103.07 103.45 34.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.79 61.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 56' ' ' VAL . 24.6 p90 -142.32 143.74 32.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -114.32 155.14 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.97 157.93 8.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.649 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 9.2 mttm -147.78 160.78 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.81 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -131.64 95.99 21.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.608 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.78 136.26 32.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.291 . . . . 0.0 112.359 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' O ' HG13 ' A' ' 98' ' ' VAL . 3.1 tp-100 -79.61 151.27 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 96' ' ' LEU . 80.1 t -125.38 125.33 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.2 t -123.81 124.29 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -111.95 118.35 35.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 p -140.83 154.18 46.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.54 89.4 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 35.98 60.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.69 10.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.91 144.53 16.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 162.39 42.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.65 172.8 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' SER . 55.6 m-20 -104.47 76.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . 66.1 p -36.86 -31.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASP . 38.2 t -48.21 -50.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.69 -34.34 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.9 118.46 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -105.96 118.75 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.9 119.45 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.759 ' CB ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -88.18 96.4 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 m -105.16 117.75 34.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -119.72 179.86 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.85 7.13 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -120.52 -60.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 11.3 p-10 -146.36 165.56 28.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -119.26 142.58 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.759 HG22 ' CB ' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -121.93 154.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 63.6 t80 -118.48 129.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -131.06 151.88 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 75.5 t -147.41 127.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -55.54 -51.42 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -139.77 126.42 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.98 92.36 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.29 141.37 28.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ALA . 55.3 mtp85 -35.6 -40.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.1 m -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -40.09 -47.2 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.7 p -42.53 109.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.33 -144.97 4.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.39 103.5 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -88.01 120.57 29.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -106.27 118.68 37.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 56' ' ' VAL . 49.6 tp -101.92 114.97 29.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.07 153.45 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 24' ' ' ILE . 48.1 t -128.07 108.87 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -90.19 120.76 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.1 mm -118.25 160.32 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.8 mm-40 -31.36 -59.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -125.93 -21.32 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.475 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 56.1 mmm -90.95 166.17 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 105' ' ' ASP . 1.9 tmtm? -159.85 152.25 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 8.2 t0 -143.87 164.63 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -146.57 165.47 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -161.75 157.87 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.4 m -130.62 131.03 44.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 30' ' ' LEU . 57.2 mt -125.69 122.17 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -104.3 122.51 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 112' ' ' ARG . 92.0 mt -113.65 151.91 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 111' ' ' ILE . 41.5 ttt180 -135.67 131.68 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -112.1 124.89 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.1 m -108.05 140.28 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.69 152.87 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -77.01 160.72 28.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.3 133.26 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -164.88 136.38 4.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -172.18 175.24 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.4 110.91 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -155.41 146.84 22.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -148.4 161.4 41.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.99 130.93 2.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -127.84 119.54 25.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 pp -140.33 139.68 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.86 92.71 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 23.2 tt0 -42.13 141.39 1.39 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 11' ' ' GLN . 54.1 Cg_endo -69.73 175.92 7.43 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.76 125.14 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -97.15 153.98 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 mt -119.91 127.71 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.11 35.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -115.24 145.59 42.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -82.19 141.6 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -85.8 -49.99 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -135.88 130.76 18.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.54 69.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.78 134.16 27.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -149.12 113.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.35 95.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -78.91 95.27 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.22 141.05 53.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.686 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -113.18 -13.0 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -88.03 -15.17 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.686 HD12 ' CG ' ' A' ' 27' ' ' PRO . 96.0 mt -96.33 -36.39 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' LEU . 79.6 mtt-85 -38.07 -45.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' THR . 11.5 pt20 -87.61 146.35 25.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' GLN . 17.9 m -35.6 110.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -71.26 113.0 7.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.33 131.22 48.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -145.3 148.34 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -89.13 158.22 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.43 142.26 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.16 -45.65 3.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.49 133.56 40.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.7 162.53 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.15 145.09 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -148.42 108.75 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.21 105.59 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.95 91.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.27 101.78 43.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 154.76 67.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.25 160.66 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -122.09 166.67 14.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.94 152.42 5.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mttt -149.48 160.49 34.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.717 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.77 -49.13 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.393 -0.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttp-105 -132.16 95.92 20.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.73 122.67 9.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -64.37 152.59 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -129.69 126.63 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -123.71 141.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 96' ' ' LEU . 34.3 m95 -127.68 118.73 24.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.4 p -145.35 134.84 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -107.06 80.17 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.87 50.94 3.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.26 62.93 5.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.39 145.49 1.49 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.45 3.7 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.5 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 3.1 p30 -112.41 83.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.4 p -48.82 -32.69 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.5 m -41.67 -51.48 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' NE ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -98.25 -40.39 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 72' ' ' VAL . 53.5 t -82.53 125.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -107.61 85.09 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG23 HG12 ' A' ' 70' ' ' VAL . 97.4 t -86.36 108.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -90.64 97.03 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -94.42 124.3 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.95 143.72 37.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.04 -35.57 11.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 17.3 p90 -81.82 -53.01 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 39.5 p30 -136.35 166.57 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -113.75 132.68 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.84 139.63 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.726 ' CE1' HG23 ' A' ' 83' ' ' VAL . 26.4 t80 -121.73 130.69 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -135.2 150.61 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.5 t -142.36 121.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' VAL . 8.7 ttt85 -36.03 -58.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -135.66 138.3 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.01 73.51 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.67 166.99 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 21.2 mtm105 -70.7 -24.84 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -72.15 -23.8 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.47 -38.0 65.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -41.75 140.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.22 -151.05 18.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.34 104.71 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.635 ' CD1' HD12 ' A' ' 111' ' ' ILE . 5.3 m-85 -87.19 120.11 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -102.32 119.13 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HB2' ' CH2' ' A' ' 58' ' ' TRP . 27.7 tp -99.79 119.35 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.78 167.04 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.1 t -145.61 108.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -90.95 131.85 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.8 mm -123.44 160.53 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 100' ' ' ILE . 4.0 mm-40 -29.7 -49.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -132.55 -33.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 40.1 mtp -84.97 166.26 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -159.79 151.42 20.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.75 158.24 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 p -140.2 161.22 38.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.6 158.59 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 54.7 m -129.71 139.71 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' TYR . 80.9 mt -130.02 138.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -109.43 127.81 54.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.635 HD12 ' CD1' ' A' ' 94' ' ' TYR . 63.1 mt -125.63 132.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.16 127.53 43.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.02 131.17 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.48 135.62 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' LYS . 12.2 mt-10 -61.68 121.79 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLU . 10.6 ptpt -36.9 -43.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.84 141.99 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -126.24 142.55 51.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -124.99 104.39 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.6 60.85 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.3 p -73.68 -42.32 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -91.11 86.63 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 48.47 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.84 122.2 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.814 0.34 . . . . 0.0 111.118 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -102.13 103.77 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.46 120.89 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 10.6 mm-40 -131.95 97.63 18.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 11' ' ' GLN . 53.9 Cg_endo -69.72 126.37 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -141.75 127.92 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -162.33 157.55 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -125.36 132.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -75.63 142.47 42.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -89.41 149.03 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 20' ' ' GLU . 87.7 mt -38.33 145.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -81.01 -32.16 34.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 18' ' ' ILE . 29.1 tt0 -163.32 133.63 3.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.22 69.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 154.78 67.48 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 25' ' ' ARG . 5.4 tptm -164.08 115.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.5 mt -86.78 105.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 23' ' ' LYS . 2.0 mmp_? -89.86 87.99 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 5.5 mt -93.36 139.11 22.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.74 151.46 69.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -67.06 -12.98 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.656 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 15.5 p80 -87.61 -6.25 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD12 ' HD2' ' A' ' 27' ' ' PRO . 14.4 mt -107.06 -35.28 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.09 -40.99 78.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.27 -75.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 34' ' ' TYR . 89.3 m -167.15 163.72 15.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' THR . 2.6 t80 -127.55 110.55 12.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 2.7 mm -99.78 125.7 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.96 138.85 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -67.63 166.0 15.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 114' ' ' VAL . 42.5 t -77.45 148.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.45 -37.35 3.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.8 145.59 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -75.12 130.83 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.478 ' OD1' HG23 ' A' ' 45' ' ' VAL . 38.7 t-20 -145.41 106.5 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 30' ' ' LEU . 35.0 mt -114.9 102.36 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.478 HG23 ' OD1' ' A' ' 43' ' ' ASN . 85.4 t -100.08 97.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.01 101.66 22.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 16.5 p90 -132.52 141.98 48.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.569 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 4.2 mp0 -104.79 171.13 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.16 167.96 12.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 19.4 mttt -154.36 160.07 31.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 -43.91 0.56 Allowed 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.351 -0.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -139.43 105.04 7.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.81 155.89 64.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -97.51 159.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.34 130.55 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.54 120.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 72.2 m95 -112.82 120.36 41.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 p -141.99 135.87 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 94' ' ' TYR . 15.3 mtpt -85.23 36.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.2 40.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.75 64.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.78 146.46 1.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.524 0.678 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.26 20.92 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 58' ' ' TRP . 13.1 mt -72.57 148.98 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.02 103.31 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.9 p -77.33 48.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -129.74 -32.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -120.29 -23.53 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 72' ' ' VAL . 59.9 t -88.12 138.22 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -123.51 82.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 HG12 ' A' ' 70' ' ' VAL . 66.6 t -88.31 120.43 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -108.75 95.95 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -86.59 126.34 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -113.92 137.69 51.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -39.96 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' SER . 46.8 m-85 -82.17 -59.69 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 13.7 p-10 -147.33 163.67 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -97.83 142.23 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.07 134.36 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE1' HG23 ' A' ' 83' ' ' VAL . 24.3 t80 -120.94 132.03 54.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -137.99 151.7 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 81' ' ' PHE . 85.5 t -137.94 123.1 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -36.46 -64.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.68 129.81 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.08 108.31 5.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.69 141.66 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -45.09 -23.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -72.97 -46.36 52.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 -35.27 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 m -46.73 108.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.72 -149.83 5.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.599 ' CD ' HG23 ' A' ' 108' ' ' THR . 13.2 tt0 -128.19 112.01 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CE1' HD12 ' A' ' 111' ' ' ILE . 4.8 m-85 -91.86 117.91 30.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.37 110.35 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 96' ' ' LEU . 2.2 tm? -96.41 121.47 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 106' ' ' THR . 19.5 m -129.12 143.75 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.01 110.38 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.02 117.29 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.5 mm -111.11 160.06 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' N ' HG22 ' A' ' 100' ' ' ILE . 36.7 mm-40 -32.32 -53.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -126.76 -27.47 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.477 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 86.4 mmm -86.49 162.81 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 106' ' ' THR . 5.8 tmtt? -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.65 162.16 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 97' ' ' SER . 3.8 p -143.84 163.21 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -162.01 160.57 27.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.599 HG23 ' CD ' ' A' ' 93' ' ' GLU . 72.2 m -130.37 121.49 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 110' ' ' ARG . 73.5 mt -108.76 155.73 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' N ' HG22 ' A' ' 109' ' ' ILE . 53.9 mtt180 -129.37 121.39 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 94' ' ' TYR . 84.0 mt -118.32 138.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 36.1 ttt180 -134.15 133.43 41.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.4 t -116.37 151.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 38' ' ' VAL . 11.4 m -137.64 153.47 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.58 129.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.31 -50.82 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.78 88.0 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.602 HD13 ' HG3' ' A' ' 103' ' ' MET . 21.7 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.877 0.37 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -83.44 -48.54 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -147.52 133.32 9.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.731 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.68 69.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.5 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.06 118.37 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.65 94.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -71.92 102.7 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -91.96 124.81 59.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.631 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.77 166.21 28.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -73.63 -23.47 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 27' ' ' PRO . 22.7 p80 -78.21 -8.48 58.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 44' ' ' LEU . 20.6 mt -107.93 -11.18 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -83.65 28.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -161.39 143.72 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -37.72 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.72 99.35 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -85.19 121.34 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.1 mmp_? -142.13 167.47 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -100.1 164.36 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.41 147.04 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.99 -39.43 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -54.22 158.72 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -88.86 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.19 146.98 25.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -148.17 105.75 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 30' ' ' LEU . 70.5 mt -124.29 121.14 34.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -116.53 96.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 t -102.83 101.78 23.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.625 0.726 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.13 41.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 56' ' ' VAL . 37.0 p90 -129.68 140.52 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.0 159.97 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.93 170.69 13.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 32.7 mtmt -157.1 159.77 30.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.79 0.25 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.333 -0.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 94.25 19.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.2 Cg_endo -69.79 124.03 10.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.98 153.43 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 48' ' ' PHE . 59.6 t -120.95 114.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.11 136.56 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -121.4 126.78 50.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 p -142.67 149.28 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 18.2 tptm -116.03 83.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.86 -23.84 29.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.4 -21.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.99 146.84 34.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.64 67.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.27 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 67' ' ' THR . 46.1 mt -54.33 140.72 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 65' ' ' LEU . 73.4 p 45.21 36.72 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -122.38 -37.98 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -116.76 -18.2 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.23 142.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.53 98.55 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.41 110.49 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -104.27 95.98 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.3 m -91.49 127.67 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.6 t -116.01 136.46 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' SER . 9.8 t70 -34.49 -41.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.76 -61.71 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -147.65 165.1 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.2 t -99.28 157.93 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -138.99 134.79 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 44' ' ' LEU . 37.6 t80 -119.45 132.81 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -145.67 156.47 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 47.6 t -145.62 134.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -51.12 -57.45 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -135.03 124.75 25.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.49 92.18 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.417 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -75.47 143.25 42.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -45.44 -28.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 90' ' ' ASP . 47.8 m -63.48 -54.56 34.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.7 m-20 -36.11 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.6 p -40.42 109.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.463 ' HA3' ' CE ' ' A' ' 60' ' ' LYS . . . -169.33 -139.31 2.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.1 tm-20 -133.52 123.1 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.4 m-85 -102.09 117.58 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -100.04 122.4 42.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -110.84 120.28 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 96' ' ' LEU . 35.3 m -122.32 137.17 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.31 122.21 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -93.08 136.4 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.6 mm -136.52 160.17 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.52 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.9 mm-40 -33.12 -67.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.41 18.99 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.602 ' HG3' HD13 ' A' ' 18' ' ' ILE . 24.9 mtp -132.63 160.52 36.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -154.86 151.32 28.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.8 p -138.12 161.09 37.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.05 152.17 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 93' ' ' GLU . 89.8 m -118.56 149.49 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.9 mt -140.76 125.5 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -95.28 127.69 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.719 HD12 ' CD1' ' A' ' 94' ' ' TYR . 66.7 mt -126.26 127.29 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -123.97 131.85 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.0 t -116.05 129.16 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.3 m -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.37 131.51 42.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 42.9 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.9 70.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -141.57 135.71 14.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.756 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 147.98 63.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' CG ' HG13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 148.47 65.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -159.68 114.08 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.31 96.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.21 111.65 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HD2' ' A' ' 27' ' ' PRO . 9.4 mt -98.74 143.14 25.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.9 Cg_endo -69.73 -165.65 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -116.42 3.15 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.8 p80 -106.72 -24.1 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' CG ' ' A' ' 27' ' ' PRO . 87.0 mt -82.28 -32.59 29.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -44.85 -46.62 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 17.9 mt-30 -83.1 142.76 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 8.3 m -35.61 112.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.94 118.71 10.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -103.43 120.72 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -141.14 146.67 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -80.14 158.5 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 114' ' ' VAL . 38.2 t -68.77 143.53 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.14 -26.11 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.18 144.01 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -73.26 134.33 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HB ' ' A' ' 83' ' ' VAL . 44.0 mt -91.22 148.4 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -148.33 112.4 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -127.4 111.61 14.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 80' ' ' VAL . 86.1 t -107.82 96.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.25 101.6 17.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.61 45.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.2 p90 -156.94 168.45 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -132.82 152.32 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.16 169.04 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.1 mtmt -162.45 161.2 20.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.81 -46.86 0.34 Allowed 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.321 -0.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -133.64 94.07 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.626 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.3 Cg_endo -69.78 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.03 142.57 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 96' ' ' LEU . 80.2 t -118.38 117.51 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.01 137.25 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.1 m95 -119.42 126.41 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -127.74 131.12 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 94' ' ' TYR . 18.3 tptm -102.8 81.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.48 34.16 17.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.23 8.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.31 154.25 3.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.03 66.78 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.85 171.16 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.7 m-20 -99.68 82.16 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.8 p -38.9 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' ASP . 7.6 t -51.47 -47.25 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -104.88 -24.18 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -89.82 135.51 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -118.27 111.97 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 80' ' ' VAL . 24.3 t -123.64 122.05 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -98.99 95.86 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 m -92.69 123.44 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t -120.86 144.07 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.62 -36.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.19 -66.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.446 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.9 p30 -143.13 166.05 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -110.42 155.52 22.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 45' ' ' VAL . 94.9 t -136.79 153.04 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 83' ' ' VAL . 16.0 t80 -132.01 129.83 40.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -138.4 158.14 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 69.2 t -143.15 143.62 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 16.4 ttm105 -56.09 -55.55 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.51 138.72 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.29 89.38 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.73 145.53 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -48.59 -19.43 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -77.43 -37.51 51.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.75 -37.61 63.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -40.68 107.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.13 -146.78 4.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -133.21 110.23 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.692 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -90.01 120.24 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -107.51 108.97 20.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -95.92 121.66 37.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 106' ' ' THR . 58.5 m -125.65 129.25 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.86 109.37 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.45 121.97 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.8 mm -112.98 160.66 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.554 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.2 mt-10 -30.85 -60.22 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -118.66 -33.17 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 66.3 mtp -84.78 167.76 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 16.9 tttt -156.21 151.1 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 4.7 t70 -135.25 155.68 50.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.518 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.0 p -139.09 148.05 42.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.86 143.78 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -113.6 142.33 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' TYR . 44.7 mt -131.0 135.63 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -106.28 134.36 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 94' ' ' TYR . 85.9 mt -133.7 142.16 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -136.34 140.43 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.54 139.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.8 m -122.43 163.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -80.61 161.2 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.8 mttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' HB2' ' A' ' 102' ' ' ASN . 53.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.43 -42.58 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -146.39 132.25 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.436 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.4 Cg_endo -69.77 146.7 60.91 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -159.02 111.52 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mt -84.35 95.18 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -81.25 103.58 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.12 135.22 37.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.728 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.4 Cg_endo -69.81 -175.13 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -90.07 -10.56 44.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 6.7 p80 -96.07 -2.21 47.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 27' ' ' PRO . 77.2 mt -118.45 12.37 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -80.64 -36.91 31.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -110.6 168.37 9.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 m -47.36 118.86 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -73.23 115.93 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mm -92.81 128.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' VAL . 19.9 mmt180 -149.43 168.64 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -106.3 153.71 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.928 HG23 ' HA ' ' A' ' 87' ' ' ALA . 10.5 p -69.81 144.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.75 -11.36 14.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -83.22 143.14 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -60.09 147.67 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.809 HD12 ' HB ' ' A' ' 83' ' ' VAL . 20.1 mt -107.78 147.19 31.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -149.03 106.28 3.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 30' ' ' LEU . 35.4 mt -124.13 108.23 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 99.61 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 30' ' ' LEU . 13.6 t -109.25 101.72 46.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.46 40.12 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.1 p90 -130.22 159.14 37.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -122.22 166.39 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.26 159.15 8.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.5 mttm -149.39 159.29 36.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -47.94 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.323 -0.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -132.24 99.34 16.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 131.86 22.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 98' ' ' VAL . 21.5 tt0 -84.04 140.68 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 48' ' ' PHE . 85.1 t -117.24 129.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.49 131.61 72.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' HD23 ' A' ' 96' ' ' LEU . 83.9 m95 -113.72 118.98 35.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 p -127.38 125.81 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HB2' HD21 ' A' ' 65' ' ' LEU . 7.1 tmtt? -104.07 90.22 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 48.11 7.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.48 48.49 84.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.56 149.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.73 20.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 60' ' ' LYS . 1.8 mt -102.27 175.74 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' SER . 6.5 m-20 -108.26 86.84 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.3 p -40.02 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' ASP . 47.7 t -54.69 -45.53 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -99.26 -36.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -88.08 145.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -126.87 84.67 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.3 t -92.67 116.89 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.48 97.27 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -87.05 136.38 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 t -125.92 142.43 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.37 -58.61 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.41 165.09 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 t -97.79 144.49 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.22 132.82 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 44' ' ' LEU . 19.6 t80 -117.18 129.45 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CD1' ' N ' ' A' ' 83' ' ' VAL . 2.0 t80 -140.24 154.21 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.809 ' HB ' HD12 ' A' ' 42' ' ' LEU . 35.3 t -145.49 135.21 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -54.98 -52.4 63.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -140.83 122.61 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -95.17 84.5 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.928 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -72.14 145.12 48.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ALA . 65.0 mtp85 -33.89 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 65.1 p -60.54 -49.1 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 87' ' ' ALA . 7.3 t70 -45.9 -38.19 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -43.52 136.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.55 -144.55 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -130.52 115.11 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.0 m-85 -92.87 118.98 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -90.79 113.28 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 58' ' ' TRP . 2.3 tm? -99.66 114.88 28.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.8 m -130.25 137.56 50.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 55' ' ' GLN . 13.7 t -105.51 114.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -93.08 115.78 28.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.2 mm -109.01 159.95 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 22.5 mt-10 -33.92 -52.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.679 ' HB2' HD11 ' A' ' 18' ' ' ILE . 31.2 m-20 -125.48 -28.95 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.409 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 89.6 mmm -86.08 161.98 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.39 130.72 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.04 164.54 15.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 p -141.16 161.24 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 96' ' ' LEU . . . -164.63 155.3 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.2 m -123.58 141.45 51.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mt -132.49 139.2 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -112.09 126.06 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 94' ' ' TYR . 74.9 mt -120.89 128.8 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.97 124.38 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.6 m -113.54 131.02 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 38' ' ' VAL . 4.4 pt-20 -69.91 122.85 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 102' ' ' ASN . 49.6 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -65.07 -40.51 94.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 51' ' ' LYS . 20.9 tt0 -155.2 134.46 7.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.698 0.761 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.79 68.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.236 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.422 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.72 149.57 67.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -165.16 121.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.451 HD11 HG23 ' A' ' 98' ' ' VAL . 82.2 mt -95.78 96.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -74.95 97.5 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.17 137.33 32.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.6 Cg_endo -69.79 -167.83 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -104.62 -10.24 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -92.99 -8.51 42.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 HD22 ' A' ' 44' ' ' LEU . 16.2 mt -97.12 -37.58 10.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 15.1 mtp-105 -38.63 -49.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -86.69 152.52 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 m -45.99 120.19 2.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -72.92 107.96 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 112' ' ' ARG . 6.1 mm -98.72 126.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 114' ' ' VAL . 6.0 mmp_? -145.37 153.56 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HD2' ' CB ' ' A' ' 116' ' ' LYS . 35.3 mtmt -84.63 152.66 23.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 39' ' ' GLY . 32.9 t -61.97 154.73 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' A' ' 38' ' ' VAL . . . 83.44 -46.69 3.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.05 156.09 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -80.88 154.48 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 58.2 mt -110.31 102.25 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -104.07 119.48 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.754 HD22 HD21 ' A' ' 30' ' ' LEU . 15.9 mt -134.78 102.13 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.58 95.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 79' ' ' THR . 21.2 t -99.42 101.77 14.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 138.65 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 5.1 p90 -137.08 149.06 47.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -118.27 154.83 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.4 165.08 15.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 31.8 mmtp -155.72 153.14 25.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.709 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.78 -50.79 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.305 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -134.76 96.79 14.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 122.47 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.63 148.12 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 96' ' ' LEU . 90.1 t -116.65 137.84 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.81 120.44 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.748 ' CD1' HG11 ' A' ' 72' ' ' VAL . 61.5 m95 -110.68 118.24 35.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 58' ' ' TRP . 6.0 p -158.87 122.27 3.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -102.91 129.53 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.04 -9.38 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.04 35.5 3.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.69 146.57 20.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.66 4.2 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.919 HD23 HG21 ' A' ' 70' ' ' VAL . 8.2 mp -45.52 154.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.72 -13.38 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.6 p 44.54 39.22 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -120.7 -36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -116.21 -23.23 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.919 HG21 HD23 ' A' ' 65' ' ' LEU . 93.3 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -93.21 100.95 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 58' ' ' TRP . 32.0 t -107.11 111.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 4.5 mmm180 -96.86 96.29 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 m -83.37 108.8 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -112.52 134.48 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.4 m-85 -83.05 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 7.3 p-10 -151.04 165.74 32.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 46' ' ' VAL . 9.7 t -100.75 156.3 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -138.54 136.77 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.2 t80 -121.71 129.61 52.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -132.82 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 9.6 t -146.54 128.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.49 -61.13 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -133.67 126.87 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.82 85.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.01 136.67 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -41.62 -33.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -56.57 -51.8 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' SER . 27.8 t70 -44.19 -41.26 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' ASP . 26.4 p -36.19 119.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.61 -156.2 16.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.53 109.55 13.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 2.9 m-85 -89.51 120.68 31.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -108.04 111.26 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 56' ' ' VAL . 13.9 tp -95.69 118.04 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.77 125.37 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.451 HG23 HD11 ' A' ' 24' ' ' ILE . 29.1 t -96.34 106.74 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.29 126.31 35.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.4 mm -120.86 159.97 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 27.7 mm-40 -33.17 -49.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.471 ' HB3' HD11 ' A' ' 18' ' ' ILE . 7.5 t-20 -130.73 -31.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.422 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 88.6 mmm -84.01 165.57 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 ttpt -159.74 151.57 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 1.4 m-20 -142.82 159.91 41.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -140.71 163.6 32.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.13 161.28 28.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.8 m -128.26 137.9 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 116.81 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 17.3 mtm105 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -117.98 129.2 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . 34.9 ttt85 -126.73 130.54 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.53 124.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' ARG . 31.5 m -110.72 140.7 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.28 143.37 55.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 102' ' ' ASN . 79.8 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.1 -53.69 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.1 tp10 -138.67 132.09 16.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.13 64.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.77 116.25 4.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.26 118.93 27.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 106' ' ' THR . 84.4 mt -90.07 107.36 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -88.81 108.93 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.25 133.66 21.31 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.77 -168.76 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -95.37 -40.09 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.3 p-80 -60.02 -17.89 42.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.799 HD21 HD22 ' A' ' 44' ' ' LEU . 14.7 mt -90.15 -49.29 6.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.7 mtp85 -33.96 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . 33.7 mt-30 -100.25 161.11 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -52.49 120.84 6.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -74.06 100.6 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.33 125.43 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -147.92 143.32 27.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 116' ' ' LYS . 32.0 mtpt -78.6 154.08 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 114' ' ' VAL . 20.3 t -66.2 148.66 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.49 -39.38 2.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -57.28 150.38 18.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -73.45 147.89 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.1 mt -104.22 143.36 33.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -147.3 112.26 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.799 HD22 HD21 ' A' ' 30' ' ' LEU . 94.3 mt -130.77 113.78 14.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.78 94.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 5.3 t -100.06 101.76 15.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.72 146.53 60.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -141.53 155.33 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -120.05 174.26 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.6 162.93 10.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 25.9 mttt -155.71 160.81 30.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.79 -48.45 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -134.29 97.41 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.2 Cg_endo -69.83 141.37 44.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -96.64 135.04 39.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.5 t -100.72 153.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' HG12 ' A' ' 56' ' ' VAL . 61.5 t -144.19 121.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 65' ' ' LEU . 77.2 m95 -108.65 126.66 53.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 p -155.54 142.05 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -101.49 81.73 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.08 -43.18 2.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.73 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.1 147.38 19.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.87 13.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 58' ' ' TRP . 42.7 mt -44.54 151.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.91 -31.26 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 65' ' ' LEU . 68.1 p 50.22 32.51 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -118.69 -40.2 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -116.51 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.54 128.01 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.2 110.4 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.4 p -128.58 127.29 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -119.17 102.09 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' HB ' ' A' ' 79' ' ' THR . 6.6 m -82.77 127.6 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -101.45 -177.57 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -20.62 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -105.98 -49.86 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 14.5 p30 -141.88 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 74' ' ' THR . 7.5 t -107.6 163.78 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 72' ' ' VAL . 44.6 t -137.83 132.01 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 7.0 t80 -121.28 129.95 53.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.88 153.76 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 21.6 t -139.79 132.94 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -51.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -129.81 126.51 38.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.3 102.0 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 139.47 30.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -42.87 -38.29 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -56.06 -45.79 79.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 3.4 m-20 -39.84 -42.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' ASP . 98.4 p -37.21 119.1 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.98 -149.77 7.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -131.73 111.73 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.402 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.0 m-85 -88.15 118.97 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -100.51 122.97 44.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.8 tp -111.26 115.87 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 m -127.89 122.62 32.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.79 116.63 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -93.05 124.11 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.2 mm -115.5 160.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 53.3 mm-40 -33.11 -49.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' HB3' HD11 ' A' ' 18' ' ' ILE . 17.5 t-20 -130.27 -31.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.414 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 75.3 mmm -84.09 167.24 16.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -159.93 142.15 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -128.83 162.78 26.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.573 ' O ' HD12 ' A' ' 24' ' ' ILE . 82.7 p -138.76 166.08 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.09 12.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.3 m -130.31 141.84 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.57 132.92 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -103.17 117.81 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 94' ' ' TYR . 57.5 mt -118.46 121.53 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -118.06 131.58 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.73 132.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 14.7 m -115.65 158.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.84 124.56 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.06 -51.42 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -143.26 131.34 11.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.16 69.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.75 46.24 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -157.13 120.65 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.4 99.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -82.05 105.7 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -86.21 141.73 35.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.723 ' CG ' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.76 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.46 3.1 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 4.4 p80 -106.01 -18.6 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CG ' ' A' ' 27' ' ' PRO . 92.8 mt -89.87 -34.28 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -45.98 -42.17 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 14.6 pt20 -92.26 142.95 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 4.8 m -34.79 107.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -69.68 114.49 7.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mm -100.62 127.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.14 142.4 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -75.43 158.98 31.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 114' ' ' VAL . 9.5 m -74.03 158.47 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.46 -36.76 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.13 155.25 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -77.18 154.54 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 83' ' ' VAL . 11.6 mt -111.98 123.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -117.59 119.34 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 30' ' ' LEU . 27.0 mt -133.81 101.12 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.73 92.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.54 101.79 19.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.9 Cg_endo -69.75 161.95 43.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 19.4 p90 -166.64 155.51 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.19 148.21 4.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.7 mtpp -148.62 161.04 34.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.74 -49.48 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.368 -0.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.02 95.17 34.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.77 126.73 13.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' HG13 ' A' ' 98' ' ' VAL . 4.9 tt0 -69.77 163.59 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 96' ' ' LEU . 84.7 t -143.23 132.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.86 128.11 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 96' ' ' LEU . 47.8 m95 -113.76 125.05 53.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -139.27 164.96 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 31.0 mtpt -119.16 38.89 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.73 -31.41 3.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.56 -36.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 151.81 38.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -178.63 2.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.93 178.7 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -114.33 81.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.1 p -40.32 -28.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 t -50.37 -49.21 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -97.75 -44.89 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -82.85 135.35 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.75 103.82 13.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 80' ' ' VAL . 90.5 t -119.02 107.91 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 80' ' ' VAL . 17.6 ptt180 -92.43 102.68 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -92.76 146.07 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.4 t -139.02 139.44 37.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' OD2' ' CE1' ' A' ' 77' ' ' PHE . 4.0 p-10 -39.53 -28.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE1' ' OD2' ' A' ' 76' ' ' ASP . 14.2 m-85 -79.04 -68.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 5.9 p-10 -141.48 164.51 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.02 153.94 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 72' ' ' VAL . 46.7 t -136.75 136.63 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -119.96 137.89 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -147.03 136.43 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -135.79 129.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -52.9 -58.03 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.9 128.86 48.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 74.67 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.45 153.71 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' ALA . 58.4 m -68.06 -43.8 77.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' HG21 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -50.12 -43.46 51.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.821 ' HB2' HG23 ' A' ' 113' ' ' VAL . 1.4 t -52.95 145.33 12.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 160.82 -136.44 4.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -133.05 103.55 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -87.66 114.56 24.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.48 124.1 44.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 56' ' ' VAL . 43.6 tp -112.65 139.04 48.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.3 OUTLIER -139.65 160.03 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' GLN . 86.5 t -132.53 109.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -90.66 127.71 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 54' ' ' PRO . 4.1 mm -122.53 160.45 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.7 mm-40 -30.24 -59.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -125.12 -19.04 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.1 mmm -95.89 166.08 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -160.08 152.85 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -140.47 160.07 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 97' ' ' SER . 3.2 p -143.63 162.66 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -166.06 148.24 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.2 m -123.44 134.76 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.42 147.48 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -117.87 123.17 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 94' ' ' TYR . 75.6 mt -120.51 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -125.67 130.53 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 91' ' ' SER . 99.5 t -110.89 134.12 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 38' ' ' VAL . 17.4 m -118.19 150.69 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -80.95 152.15 28.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.74 HD13 ' HG3' ' A' ' 103' ' ' MET . 69.3 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.886 0.374 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -79.38 -48.21 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 12.7 tp10 -149.26 130.43 7.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 150.09 67.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -150.6 106.73 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.83 87.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.0 mmm180 -65.23 109.1 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -101.19 135.72 19.85 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.46 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.3 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.32 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -107.84 1.22 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.44 7.35 30.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 27' ' ' PRO . 47.6 mt -132.68 12.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -80.77 -34.48 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -101.22 -68.37 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 35' ' ' ILE . 92.8 m -166.28 140.43 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.02 98.99 11.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -84.07 130.45 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -152.71 151.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -81.72 164.78 21.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 113' ' ' VAL . 3.6 m -81.81 152.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.95 -25.24 4.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.28 160.66 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -85.73 126.05 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.49 143.22 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -148.59 110.33 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 81' ' ' PHE . 46.4 mt -120.85 114.53 21.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -109.91 90.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.14 101.75 28.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.81 67.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -143.13 146.5 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -110.28 167.99 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 137.02 154.49 6.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.6 mptt -144.62 160.51 47.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.64 101.35 11.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.593 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.76 121.75 8.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.23 . . . . 0.0 112.322 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -76.13 135.9 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 74' ' ' THR . 86.3 t -101.2 149.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -151.04 120.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.433 ' CE2' HD13 ' A' ' 96' ' ' LEU . 84.4 m95 -106.22 139.72 40.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 p -151.52 143.55 23.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.451 ' HZ1' ' HA3' ' A' ' 92' ' ' GLY . 15.4 tttp -108.46 75.43 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.03 -45.77 1.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.99 42.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -166.18 158.75 12.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.9 Cg_endo -69.76 140.11 41.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 67' ' ' THR . 29.1 mt -58.52 158.64 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -20.53 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 65' ' ' LEU . 10.9 p 39.42 40.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -128.32 -36.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -115.98 -21.8 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 72' ' ' VAL . 96.6 t -89.49 132.07 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -103.36 83.21 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 70' ' ' VAL . 59.7 t -87.11 104.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -103.81 98.26 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 56' ' ' VAL . 40.6 m -99.78 144.53 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.6 p -134.95 155.47 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.93 -19.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -85.27 -65.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -149.63 165.95 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -97.82 150.07 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.39 131.67 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 44' ' ' LEU . 19.1 t80 -119.83 129.48 54.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -139.27 151.25 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.492 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 71.0 t -147.34 124.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -37.95 -66.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -129.33 128.71 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.8 91.58 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -81.71 148.67 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' ALA . 83.1 mtm-85 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 m -46.39 -50.68 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' SER . 12.8 t70 -38.07 -49.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' ASP . 19.5 m -35.8 118.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.451 ' HA3' ' HZ1' ' A' ' 60' ' ' LYS . . . -173.96 -148.92 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.594 ' OE2' HG23 ' A' ' 108' ' ' THR . 4.0 tm-20 -129.3 115.12 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.92 125.1 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.98 119.2 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 58' ' ' TRP . 57.5 tp -105.21 124.36 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.546 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.6 OUTLIER -121.72 167.61 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 77.9 t -144.14 117.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -92.0 136.19 33.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.6 mm -138.58 160.21 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.508 ' N ' HG22 ' A' ' 100' ' ' ILE . 7.8 mm-40 -31.45 -67.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.606 ' HB2' HD11 ' A' ' 18' ' ' ILE . 36.1 m120 -129.45 28.24 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.74 ' HG3' HD13 ' A' ' 18' ' ' ILE . 21.5 mtp -141.67 157.75 44.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -158.39 148.6 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -143.26 143.37 31.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 97' ' ' SER . 14.0 p -124.9 149.57 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -140.29 154.89 46.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' OE2' ' A' ' 93' ' ' GLU . 78.7 m -120.93 132.99 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -120.8 116.45 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.94 148.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 12.9 tpt180 -129.85 144.72 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 38' ' ' VAL . 61.4 t -134.8 119.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' VAL . 33.4 m -116.65 142.04 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.76 134.75 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 102' ' ' ASN . 80.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . . . -77.71 -42.79 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' ' N ' ' A' ' 51' ' ' LYS . 4.0 tp10 -149.81 131.78 7.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.2 67.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.47 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.3 Cg_endo -69.81 142.75 48.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -157.64 110.6 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.3 mt -84.98 100.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -76.39 101.59 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.32 127.27 71.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.729 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' CD ' HD12 ' A' ' 30' ' ' LEU . 54.4 Cg_endo -69.75 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -100.6 -9.74 21.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.9 p80 -97.48 2.03 49.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.908 HD21 HD22 ' A' ' 44' ' ' LEU . 97.0 mt -120.19 4.54 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -77.62 -15.38 59.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -135.81 174.54 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -57.38 115.53 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.1 123.77 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -113.62 119.87 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.3 mmt180 -147.28 164.1 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -96.69 146.76 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 114' ' ' VAL . 30.1 t -57.83 152.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.97 -41.74 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.08 142.17 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 5.2 mt-30 -73.99 127.32 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 15.8 mt -79.64 147.96 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.29 107.63 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.908 HD22 HD21 ' A' ' 30' ' ' LEU . 33.6 mt -129.51 102.15 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.2 p -106.61 100.63 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 79' ' ' THR . 2.3 t -99.8 101.82 15.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.725 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.87 41.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 12.5 p90 -126.17 162.23 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -125.13 154.26 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 147.38 170.23 15.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 31.5 mmtp -152.46 154.77 32.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.77 -44.45 0.51 Allowed 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.335 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -142.53 106.29 5.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 133.98 26.94 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 4.1 tp-100 -80.45 150.31 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 58.9 t -122.12 135.49 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.18 121.02 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -108.88 136.14 48.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 p -143.21 147.94 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 21.7 tptp -114.91 88.01 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 39.93 35.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.11 49.41 9.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.86 154.81 1.84 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.31 57.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -92.49 174.03 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.26 95.24 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 p -55.6 -14.28 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -64.76 -17.0 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -134.38 -41.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.83 133.6 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -118.41 98.62 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -99.59 120.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -99.09 97.2 8.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -93.51 123.79 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 p -123.23 143.19 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -26.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -80.51 -68.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -143.9 165.24 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.9 t -98.02 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 132.76 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.59 129.31 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -144.87 148.41 33.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' HB ' HD12 ' A' ' 42' ' ' LEU . 96.9 t -138.04 129.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -40.03 -61.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -132.6 132.6 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.487 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -82.2 88.11 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.58 173.93 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.6 ' HE ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmt85 -69.19 -16.78 63.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 91' ' ' SER . 3.2 m -85.02 -45.48 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.8 m-20 -35.14 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.5 t -60.69 145.7 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.12 -142.61 8.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.518 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 3.2 tt0 -132.97 105.74 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 4.3 m-85 -87.78 121.68 30.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.84 126.42 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 tp -120.69 110.19 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.2 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.85 114.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.95 120.18 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 54' ' ' PRO . 7.9 mm -115.98 160.0 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 100' ' ' ILE . 11.8 mt-10 -32.77 -53.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 4.5 m120 -127.02 -29.04 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.47 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 96.3 mmm -85.42 163.67 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -159.9 137.53 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.08 163.44 22.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.9 p -137.68 160.3 39.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.32 151.77 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 42.4 m -129.71 131.04 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.98 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -109.52 134.01 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.1 mt -126.85 145.62 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -138.74 133.68 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.561 ' CG1' HG22 ' A' ' 38' ' ' VAL . 36.3 t -114.43 121.66 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.5 m -95.51 142.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 15.8 mt-10 -62.66 135.43 57.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 102' ' ' ASN . 24.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.08 -29.29 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 18' ' ' ILE . 24.3 tp10 -159.51 132.46 4.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.68 65.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 151.77 69.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.24 112.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.48 109.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -91.74 97.09 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 27' ' ' PRO . 4.3 mt -87.76 144.75 35.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.692 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -107.16 2.55 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.6 p80 -108.56 1.29 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 27' ' ' PRO . 25.6 mt -127.9 30.31 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -102.4 -20.57 14.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -124.38 -57.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 m -168.82 142.29 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . 8.8 t80 -105.69 102.34 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -84.19 118.81 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -137.81 144.37 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -78.7 150.17 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.5 m -68.42 153.92 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.75 -42.82 2.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.65 160.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.52 131.84 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 13.0 mt -84.72 148.54 26.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -147.96 106.82 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 HD21 ' A' ' 30' ' ' LEU . 28.5 mt -124.06 102.57 7.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 80' ' ' VAL . 59.3 t -101.99 97.57 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.32 101.8 33.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 144.5 53.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 21.7 p90 -131.22 162.63 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -128.66 162.07 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.61 162.87 9.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.0 mmtm -146.7 153.98 47.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.76 -49.34 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.339 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.83 103.4 12.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.76 122.94 9.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 98' ' ' VAL . 44.8 tp60 -70.29 147.5 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -116.43 144.33 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -139.42 146.11 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 96' ' ' LEU . 68.2 m95 -131.19 138.22 49.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.0 p -145.42 133.97 22.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -111.9 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.65 31.71 7.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 16.69 77.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.78 144.81 34.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.13 66.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.618 HD23 HG21 ' A' ' 70' ' ' VAL . 2.3 mp -86.22 162.29 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' SER . 29.6 t70 -100.48 11.43 39.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 p 39.83 28.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.4 t -97.33 -40.52 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -112.86 -15.6 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.618 HG21 HD23 ' A' ' 65' ' ' LEU . 65.6 t -98.4 138.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' A' ' 71' ' ' HIS . 5.0 t-80 -113.02 102.91 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -118.41 145.92 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -129.84 100.07 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -89.59 132.42 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 82.5 p -127.54 138.19 52.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.8 p-10 -36.83 -33.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.0 m-85 -73.77 -68.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.461 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -145.75 165.09 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.492 HG21 HD11 ' A' ' 96' ' ' LEU . 10.2 t -98.86 144.34 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 45' ' ' VAL . 43.1 t -132.13 136.55 56.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 83' ' ' VAL . 10.9 t80 -119.98 131.92 55.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -145.79 150.25 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 81' ' ' PHE . 55.6 t -137.03 149.36 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -56.75 -53.93 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.5 131.63 40.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -85.3 44.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.33 152.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -41.71 -51.36 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' ASP . 51.8 p -41.69 -53.87 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -35.46 -48.53 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASP . 29.9 p -37.74 117.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.59 -149.78 6.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 6.0 tt0 -133.52 112.04 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.3 m-85 -96.48 119.82 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.78 114.73 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 97' ' ' SER . 3.2 tt -95.91 128.18 42.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.496 ' N ' HD23 ' A' ' 96' ' ' LEU . 55.5 m -131.04 118.66 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 55' ' ' GLN . 79.7 t -92.78 113.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -94.02 129.32 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.7 mm -118.42 160.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 100' ' ' ILE . 17.3 mt-10 -32.6 -48.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.565 ' HB3' HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -130.97 -31.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 87.0 mmm -84.84 166.47 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.09 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -138.14 161.75 35.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.8 p -143.83 158.5 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.59 153.12 12.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 90.4 m -124.17 136.45 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.12 144.15 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.5 mtm-85 -111.14 117.3 32.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.531 HD12 ' CD1' ' A' ' 94' ' ' TYR . 83.2 mt -116.58 121.61 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -121.02 128.76 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.827 ' CG1' HG12 ' A' ' 38' ' ' VAL . 78.0 t -103.33 144.18 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 38' ' ' VAL . 29.4 m -133.86 141.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.08 137.31 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 1.1 tmtp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.0 -49.49 76.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.4 tp10 -156.76 133.58 6.42 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.651 0.739 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.52 68.79 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -169.07 132.65 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.532 HD13 ' CB ' ' A' ' 107' ' ' ALA . 22.3 mt -105.65 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -78.15 106.73 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.26 142.56 26.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.73 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -105.56 -5.94 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.8 p80 -101.13 0.54 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 27' ' ' PRO . 93.2 mt -119.05 -0.39 11.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -70.35 -48.06 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -87.44 -67.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 19.8 m -168.8 154.22 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HD21 ' A' ' 44' ' ' LEU . 3.0 t80 -105.71 97.29 7.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 37.1 mm -88.66 121.79 39.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -147.91 148.45 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -77.68 159.27 29.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.933 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.9 m -75.41 160.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -39.41 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.54 178.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.7 134.7 42.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.68 103.21 15.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -105.44 115.31 30.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 81' ' ' PHE . 4.0 mt -129.19 124.04 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.19 93.25 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.62 101.73 19.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 148.01 64.72 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.8 p90 -143.79 156.96 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -123.64 152.74 41.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.47 157.19 8.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 14.2 mtpt -151.77 160.87 30.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.73 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.359 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -130.71 91.68 36.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.72 121.62 8.32 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -77.79 137.96 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.52 139.99 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.4 t -128.51 123.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -109.14 132.3 54.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 p -152.51 144.83 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -109.06 80.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.26 -31.04 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.06 42.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.465 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.78 147.34 8.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.83 33.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.6 149.67 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.14 -19.92 8.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.3 p 43.79 30.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -111.55 -43.04 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -112.18 -23.11 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 72' ' ' VAL . 84.7 t -84.54 136.84 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -116.32 83.36 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 70' ' ' VAL . 86.0 t -85.12 116.23 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -102.51 98.01 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -91.38 141.76 28.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' PHE . 22.7 p -137.35 135.74 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 29.8 t70 -35.58 -33.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 91.7 m-85 -74.48 -74.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 25.1 p30 -135.52 163.54 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.3 t -99.04 150.76 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -133.04 137.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG23 ' A' ' 83' ' ' VAL . 71.5 t80 -120.72 131.59 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -137.57 146.89 44.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' CE2' ' A' ' 81' ' ' PHE . 42.7 t -147.39 126.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -42.7 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.17 135.05 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.08 84.26 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -81.33 139.8 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' ALA . 5.7 mtm105 -34.62 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 87' ' ' ALA . 34.8 t -58.85 -49.3 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 9.7 m-20 -51.44 -41.64 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -37.86 140.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.15 -149.28 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -125.97 110.37 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.51 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.8 m-85 -89.02 116.17 27.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -95.85 118.46 32.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 tp -108.38 117.08 33.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.84 142.74 50.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.8 t -112.1 125.63 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 100' ' ' ILE . 44.6 tt0 -97.33 145.13 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 54' ' ' PRO . 18.5 mm -142.83 160.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.544 ' N ' HG22 ' A' ' 100' ' ' ILE . 12.9 mm-40 -33.04 -66.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -125.91 24.35 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.6 mtp -140.39 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.77 138.03 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.88 161.73 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.5 p -134.12 160.71 36.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.532 ' CB ' HD13 ' A' ' 24' ' ' ILE . . . -159.93 143.99 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.2 m -114.45 137.22 52.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 73.0 mt -133.18 122.98 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -98.3 129.29 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 94' ' ' TYR . 94.3 mt -122.61 123.33 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 29.6 ttt180 -114.07 132.78 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.933 ' CG1' HG12 ' A' ' 38' ' ' VAL . 56.0 t -113.6 127.77 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.9 m -114.98 145.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.66 154.48 41.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.6 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -76.58 -39.0 53.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HB3' ' C ' ' A' ' 50' ' ' GLY . 24.4 tt0 -149.44 129.23 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.66 0.743 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 150.66 67.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 54.0 Cg_endo -69.76 112.04 2.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -120.93 120.69 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.34 94.06 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' CD ' HE22 ' A' ' 49' ' ' GLN . 10.6 mmm180 -78.62 108.65 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' A' ' 107' ' ' ALA . 7.6 mt -105.83 134.03 19.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.54 0.686 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.73 156.27 63.84 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.04 -24.74 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 12.1 p-80 -79.7 -4.79 53.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HG23 ' A' ' 109' ' ' ILE . 25.1 mt -113.98 2.39 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -88.41 -0.99 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -133.16 -74.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -166.54 144.48 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 44' ' ' LEU . 3.1 t80 -98.58 103.61 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.5 mm -85.93 125.14 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.5 mmp_? -148.35 159.54 43.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -94.22 146.87 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 ' CG1' ' A' ' 113' ' ' VAL . 10.3 m -61.57 157.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.24 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.35 142.64 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.47 132.38 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.76 148.43 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -147.25 110.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.608 ' CD1' HD11 ' A' ' 111' ' ' ILE . 69.7 mt -124.99 100.38 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG23 HG22 ' A' ' 80' ' ' VAL . 8.1 p -101.86 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 109' ' ' ILE . 2.4 t -112.18 101.64 52.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 143.22 49.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -144.35 149.9 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.413 HE22 ' CD ' ' A' ' 25' ' ' ARG . 28.8 mp0 -107.06 158.52 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 153.77 157.03 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mttm -158.75 160.65 29.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.82 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.317 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -130.87 93.42 31.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 141.69 45.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.7 tp60 -88.99 144.82 25.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.2 t -111.21 153.82 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' HG12 ' A' ' 56' ' ' VAL . 58.2 t -138.31 126.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -122.83 119.17 29.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.8 p -148.97 131.36 15.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HD2' ' CE1' ' A' ' 94' ' ' TYR . 58.0 tttm -98.04 85.39 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.52 54.04 5.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.45 41.57 97.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.15 145.58 10.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.94 2.09 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.74 174.75 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.72 80.65 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.6 p -51.5 -46.04 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.65 -41.1 5.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.07 143.17 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -124.21 106.64 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 118.34 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -101.24 98.07 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 m -95.7 128.49 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -130.81 149.74 52.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -19.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -87.9 -63.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -149.1 162.66 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -101.03 152.14 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.753 HG22 HG23 ' A' ' 45' ' ' VAL . 64.8 t -138.73 136.82 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.735 ' CE1' HG23 ' A' ' 83' ' ' VAL . 20.6 t80 -119.21 130.8 55.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -133.64 152.41 51.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.0 t -142.74 116.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 83' ' ' VAL . 9.4 ttt180 -36.87 -67.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -132.99 128.84 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.31 160.61 32.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -163.28 140.03 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . 57.6 mtm-85 -36.41 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.5 t -61.65 -54.32 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.31 -37.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 p -43.68 111.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.46 -150.4 6.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.627 ' OE2' HG21 ' A' ' 108' ' ' THR . 15.9 tt0 -133.23 109.14 9.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HD2' ' A' ' 60' ' ' LYS . 2.9 m-85 -87.26 157.89 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -132.54 134.78 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.12 111.45 14.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 m -126.5 128.15 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 55' ' ' GLN . 26.6 t -97.8 114.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -93.72 118.44 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.68 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.1 mm -114.6 160.37 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.1 mm-40 -30.77 -55.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.86 -30.48 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.472 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 85.6 mmm -84.15 162.51 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -159.98 151.91 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.87 154.78 46.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.8 p -135.97 158.74 43.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 26' ' ' LEU . . . -165.15 156.98 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.627 HG21 ' OE2' ' A' ' 93' ' ' GLU . 39.2 m -130.23 109.81 11.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.761 HG23 HD22 ' A' ' 30' ' ' LEU . 47.8 mt -94.62 116.81 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.17 131.66 39.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 44' ' ' LEU . 66.7 mt -127.93 134.64 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -120.72 130.2 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.743 ' CG1' HG12 ' A' ' 38' ' ' VAL . 58.3 t -108.52 126.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.2 m -118.16 137.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -50.73 149.11 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 102' ' ' ASN . 23.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -100.91 -31.52 11.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -157.81 133.8 6.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.99 64.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.75 150.98 68.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.14 119.78 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 98' ' ' VAL . 52.7 mt -92.74 91.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -70.96 109.62 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.69 138.91 26.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.76 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -108.52 -6.04 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.484 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 10.4 p80 -95.2 -22.9 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.113 HD21 HD22 ' A' ' 44' ' ' LEU . 26.8 mt -82.72 -36.5 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -42.15 -29.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' THR . 20.5 mm-40 -108.65 138.57 44.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' GLN . 62.3 m -34.8 109.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.58 105.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.4 mm -89.34 118.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -143.81 141.12 30.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -75.7 162.64 28.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 113' ' ' VAL . 3.1 m -77.54 150.9 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.36 -35.22 2.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -63.43 166.33 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.08 156.81 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.662 HD12 ' HB ' ' A' ' 83' ' ' VAL . 15.1 mt -118.85 145.57 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -149.15 114.52 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.113 HD22 HD21 ' A' ' 30' ' ' LEU . 75.6 mt -128.59 106.49 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.17 95.97 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.99 101.78 13.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 139.98 41.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 9.8 p90 -135.3 162.88 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -128.34 156.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.72 163.52 10.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mtmm -154.77 160.64 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.529 0.68 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.75 -49.09 0.24 Allowed 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.324 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -133.44 103.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.76 154.73 67.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.603 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.2 tt0 -97.25 156.25 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.62 HG21 ' CG2' ' A' ' 74' ' ' THR . 53.8 t -128.21 129.33 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.79 120.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 70.9 m95 -113.86 119.67 38.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -135.42 153.96 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -118.24 77.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.44 32.27 34.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.31 54.08 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.31 148.15 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 58' ' ' TRP . 4.8 mt -105.08 166.14 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -96.83 97.48 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -63.35 -9.74 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m -73.22 -39.05 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.541 ' HG3' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -107.06 -22.77 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 69' ' ' ARG . 22.9 t -102.4 142.6 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -119.46 101.98 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.82 102.51 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -88.61 101.11 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 56' ' ' VAL . 7.2 m -100.5 107.96 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.9 m -80.54 171.65 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -78.91 -1.42 35.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.55 -37.1 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -144.59 165.31 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 9.2 t -119.82 136.97 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -122.74 148.03 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 83' ' ' VAL . 27.6 t80 -129.46 130.99 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.6 t80 -136.64 154.35 50.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.662 ' HB ' HD12 ' A' ' 42' ' ' LEU . 47.4 t -142.67 132.51 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -52.79 -59.93 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -125.32 128.3 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -89.13 55.92 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 113' ' ' VAL . . . -50.96 166.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.747 ' HD2' HG11 ' A' ' 38' ' ' VAL . 1.8 mpp_? -59.26 -33.29 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -60.57 -43.02 97.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.67 -29.52 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 p -52.25 110.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.52 -154.55 9.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -127.66 118.36 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.48 127.21 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.23 114.97 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.9 tp -105.48 117.53 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.484 ' OG ' HG22 ' A' ' 106' ' ' THR . 27.1 m -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 55' ' ' GLN . 19.3 t -101.25 118.34 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 9.6 tt0 -97.58 119.01 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.588 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.8 mm -111.93 160.25 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 100' ' ' ILE . 46.1 mm-40 -30.8 -55.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.523 ' HB3' HD11 ' A' ' 18' ' ' ILE . 28.1 t30 -124.82 -32.36 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.516 ' HG3' HD13 ' A' ' 18' ' ' ILE . 49.4 mtp -84.67 167.27 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.61 ' HE2' HG23 ' A' ' 106' ' ' THR . 0.3 OUTLIER -159.74 152.08 20.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -136.57 162.92 31.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.61 HG23 ' HE2' ' A' ' 104' ' ' LYS . 10.5 p -141.01 163.9 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.69 156.35 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -127.69 133.63 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.5 mt -121.54 136.09 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -107.92 128.25 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.59 132.53 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -125.13 129.78 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 38' ' ' VAL . 44.1 t -103.0 130.43 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 38' ' ' VAL . 23.8 m -120.28 143.76 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' LYS . 37.6 mt-10 -67.45 136.39 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' GLU . 23.5 mtmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 51' ' ' LYS . 58.8 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -52.78 -47.8 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' ILE . 5.7 tp10 -150.79 132.11 7.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 158.36 57.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 116.37 4.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 4.4 tppt? -124.19 101.74 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 98' ' ' VAL . 91.3 mt -82.69 103.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 23' ' ' LYS . 1.5 mpt_? -81.75 130.49 35.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.38 138.41 23.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 54.0 Cg_endo -69.73 -170.11 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.92 -2.03 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.534 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 20.9 p-80 -102.81 -8.98 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD22 ' A' ' 44' ' ' LEU . 33.4 mt -107.99 -2.76 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.43 -42.78 82.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.08 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -165.11 135.65 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.726 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 t80 -83.34 97.63 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -82.51 120.13 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -146.64 143.57 28.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -81.41 148.47 29.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' CG1' ' A' ' 113' ' ' VAL . 6.8 m -59.73 157.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.55 -49.32 3.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -49.87 143.72 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.48 126.02 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.1 mt -80.08 143.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -149.09 105.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 34' ' ' TYR . 91.6 mt -119.11 118.27 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.4 92.46 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 t -103.1 101.83 24.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.96 40.1 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -165.48 150.62 9.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.16 162.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.7 159.74 9.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mtmm -156.49 160.82 30.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.74 -45.98 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.382 -0.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 48.4 ttt180 -134.93 93.82 17.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.75 133.27 25.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -93.31 129.19 39.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 96' ' ' LEU . 94.1 t -97.18 141.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.45 135.56 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 65' ' ' LEU . 68.4 m95 -121.51 124.21 43.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -142.87 135.15 27.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 14.9 tptp -109.01 96.25 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.93 -33.35 4.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 47.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -170.64 154.75 4.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.571 0.7 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.5 Cg_endo -69.78 120.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 67' ' ' THR . 33.0 mt -39.26 146.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -28.84 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 80.6 p 48.64 34.67 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 p -121.5 -37.01 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -115.1 -22.54 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 72' ' ' VAL . 73.8 t -89.45 135.99 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -107.05 84.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 70' ' ' VAL . 82.3 t -86.74 100.77 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -88.67 95.98 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.464 HG21 ' HB ' ' A' ' 56' ' ' VAL . 19.5 m -100.34 126.86 46.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' ASP . 22.3 p -122.56 142.24 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' SER . 18.0 t0 -36.72 -40.3 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -70.38 -73.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.89 160.6 37.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -99.74 156.11 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.54 128.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 10.8 t80 -117.52 137.2 52.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -150.99 152.98 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 80.6 t -138.07 122.56 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 10.3 tpt180 -34.4 -66.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -132.39 124.33 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.21 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -158.18 141.16 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 5.9 mmm180 -37.23 -34.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -56.88 -54.74 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' SER . 56.2 m-20 -42.47 -46.47 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.1 p -35.7 119.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.03 -148.5 8.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' CD ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.61 114.34 14.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.3 m-85 -91.01 131.66 36.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -107.79 112.33 24.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 56' ' ' VAL . 46.9 tp -103.09 111.54 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -121.37 134.11 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.544 HG23 HD11 ' A' ' 24' ' ' ILE . 58.4 t -100.3 117.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 54' ' ' PRO . 2.9 mm -107.23 160.14 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 100' ' ' ILE . 24.7 mt-10 -31.73 -58.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -124.22 -27.34 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 80.7 mmm -85.85 165.83 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -159.89 140.99 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.71 155.8 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 47.1 p -136.19 153.74 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.62 146.91 25.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.542 HG23 ' CD ' ' A' ' 93' ' ' GLU . 94.5 m -115.09 137.46 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.8 mt -131.65 116.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -92.48 121.66 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 94' ' ' TYR . 97.6 mt -113.85 136.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -125.85 127.82 46.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.692 ' CG1' HG12 ' A' ' 38' ' ' VAL . 92.2 t -111.03 115.11 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 38' ' ' VAL . 32.0 m -104.12 147.14 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.24 173.22 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.569 HD13 ' HG3' ' A' ' 103' ' ' MET . 54.4 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -88.99 -46.92 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 11.7 tp10 -153.66 132.81 7.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.1 63.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 152.62 69.12 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -165.97 110.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -82.85 94.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.1 mmm180 -73.93 102.3 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.73 137.37 33.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -98.32 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -81.37 -11.47 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.08 20.41 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -89.83 -36.4 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.89 -72.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -165.67 145.49 6.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -95.06 100.89 12.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 mm -89.17 118.26 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -135.46 159.83 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -91.61 160.85 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.13 144.85 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.06 -39.9 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.51 160.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -87.55 137.29 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 15.2 mt -98.1 144.76 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -149.18 105.45 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.19 99.99 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -95.19 91.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.11 101.86 52.72 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.77 36.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -131.03 152.05 50.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 30.8 mm100 -120.35 156.86 30.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.98 150.98 5.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 2.4 mptp? -141.16 159.33 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.77 -49.22 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.379 -0.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -133.75 101.71 12.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 121.26 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -72.69 132.76 44.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.23 136.18 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -131.47 117.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.419 ' HB3' HD11 ' A' ' 65' ' ' LEU . 57.7 m95 -102.29 124.15 47.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.8 p -146.0 131.55 18.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -87.17 84.45 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.31 -42.08 3.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.31 41.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.68 155.01 21.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 58' ' ' TRP . 7.8 mt -106.54 173.95 6.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -112.83 90.38 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -51.53 -17.9 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -53.4 -34.29 57.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -125.05 -27.85 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 70.4 t -86.92 146.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -123.22 116.42 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.1 t -123.8 112.56 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -103.73 97.9 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -92.01 146.64 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -141.47 142.11 33.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.18 -35.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -72.95 -64.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -145.29 166.09 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.55 156.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.59 125.81 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 55.6 t80 -117.06 129.6 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -130.66 156.03 45.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.1 t -145.48 119.15 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' VAL . 39.0 ttt180 -35.68 -68.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -128.12 139.22 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.44 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -99.29 92.89 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.72 150.06 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . 18.0 mmm180 -36.31 -35.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.0 m-20 -39.46 -43.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -39.9 108.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.97 -148.75 5.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -133.17 114.52 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.66 118.66 34.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.44 119.71 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 64.7 tp -101.34 111.48 23.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.89 155.96 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -134.54 122.81 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.401 ' O ' HD13 ' A' ' 100' ' ' ILE . 6.7 tt0 -94.21 145.06 24.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 54' ' ' PRO . 11.2 mm -144.48 160.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.6 mm-40 -32.9 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.512 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.6 t-20 -121.99 27.8 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.3 mtp -144.22 163.04 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -157.3 152.65 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.71 157.67 46.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -142.12 156.53 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.26 167.84 27.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.4 m -129.89 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.48 111.19 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -89.22 121.51 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.1 mt -115.92 134.82 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -130.8 134.31 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.4 t -116.37 123.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.87 139.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.7 132.48 52.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD13 ' HG3' ' A' ' 103' ' ' MET . 64.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.823 0.345 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -86.82 -42.46 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 3.6 tp10 -151.39 128.6 5.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.9 68.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 148.7 65.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.4 tmtm? -160.45 112.89 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -84.35 103.44 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -90.21 121.57 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.68 139.34 21.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.721 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.71 -171.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 0.0 112.352 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -98.4 -5.68 32.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -99.92 -5.15 28.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 44' ' ' LEU . 20.8 mt -102.23 -28.69 12.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 14.5 mtp-105 -48.92 -33.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -106.63 149.42 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -41.39 115.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CE1' HD21 ' A' ' 44' ' ' LEU . 5.4 t80 -63.25 112.29 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.77 118.87 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -146.09 147.13 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -81.92 157.54 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.774 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.8 m -70.87 154.78 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 -43.83 2.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.76 145.67 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.93 132.5 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -99.34 147.28 25.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -146.35 123.19 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 30' ' ' LEU . 44.9 mt -138.6 108.24 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.4 p -102.65 105.79 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 t -104.1 101.74 27.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 154.25 68.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 56' ' ' VAL . 30.8 p90 -154.22 143.0 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 80.8 mm-40 -106.37 160.86 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 143.17 153.58 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.3 mptt -143.61 160.74 49.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.2 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.34 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -133.93 96.11 16.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.76 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -70.43 158.86 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 96' ' ' LEU . 31.6 t -133.52 123.69 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.45 121.03 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HE1' HG21 ' A' ' 79' ' ' THR . 59.9 m95 -102.64 125.39 49.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 p -135.26 151.0 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 11.6 tptm -114.42 81.06 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.94 -39.28 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.64 -36.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.759 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -100.52 165.78 13.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.759 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.4 Cg_endo -69.77 142.76 48.75 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 67' ' ' THR . 80.9 mt -44.59 155.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' A' ' 69' ' ' ARG . 3.3 m-20 -53.66 -27.52 27.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.3 p 46.21 31.59 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -111.17 -40.93 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' NH1' ' CG ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -121.69 -16.77 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -82.83 134.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -112.57 103.27 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.1 t -106.06 131.02 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -108.54 96.79 6.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -91.39 132.96 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.3 t -130.87 138.7 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 p-10 -34.55 -33.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 18.9 m-85 -80.92 -71.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 2.3 p30 -140.29 157.53 45.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.513 HG21 ' HE1' ' A' ' 58' ' ' TRP . 13.3 t -100.63 160.62 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.31 140.55 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 72.5 t80 -116.99 138.68 51.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -145.05 154.93 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.0 t -146.74 112.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -35.2 -59.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.55 122.71 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.29 164.92 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -161.22 143.42 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' ALA . 36.4 mtp85 -38.06 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.0 t -60.44 -54.04 50.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.1 m-20 -37.75 -47.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 17.3 m -35.87 117.36 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.28 -146.46 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -130.55 108.28 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.578 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.0 m-85 -87.82 121.32 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.9 121.93 43.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -110.7 127.88 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.519 ' N ' HD23 ' A' ' 96' ' ' LEU . 72.3 m -133.77 143.09 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.24 130.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.2 mm -134.72 160.19 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.1 mt-10 -32.76 -66.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -126.29 23.01 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.2 mtp -139.36 161.0 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -155.52 160.98 40.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -141.68 163.32 33.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.9 p -143.61 151.7 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -154.51 155.58 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.1 m -123.42 141.98 51.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.4 mt -136.61 136.25 48.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -110.0 123.53 49.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.99 130.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -124.09 131.61 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.774 ' CG1' HG12 ' A' ' 38' ' ' VAL . 34.9 t -114.98 143.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.77 141.48 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -57.88 147.28 29.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.14 -53.5 57.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 37.3 tp10 -139.68 136.97 17.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.78 148.66 65.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.442 ' CG ' ' HB3' ' A' ' 103' ' ' MET . 53.6 Cg_endo -69.75 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.226 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.47 120.15 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' OD2' ' A' ' 105' ' ' ASP . 62.4 mt -91.97 105.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 6.1 mmm180 -83.89 113.52 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.36 128.02 30.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.599 0.714 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HD2' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.73 -165.16 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -104.57 -8.32 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.453 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 12.6 p-80 -89.1 -7.66 55.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.888 HD21 HD22 ' A' ' 44' ' ' LEU . 41.0 mt -105.1 -34.62 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -44.36 -45.06 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' THR . 4.8 pp0? -92.82 138.55 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' GLN . 51.0 m -35.2 122.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.37 114.6 6.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.1 mm -104.05 118.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.17 144.44 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -76.84 161.18 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.624 HG12 ' CG1' ' A' ' 113' ' ' VAL . 3.9 m -74.28 154.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.07 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.08 171.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -96.11 140.58 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 47.4 mt -96.9 148.19 23.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 4.8 p-10 -148.16 109.58 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.888 HD22 HD21 ' A' ' 30' ' ' LEU . 47.8 mt -129.62 108.58 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 80' ' ' VAL . 95.6 t -110.76 94.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 30' ' ' LEU . 2.7 t -99.34 101.78 14.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 160.41 49.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CE2' HG21 ' A' ' 56' ' ' VAL . 3.2 p90 -154.36 156.6 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -112.89 173.43 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.42 163.88 10.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.5 mtmm -159.39 160.22 28.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.69 -49.27 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.373 -0.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 16.5 mtm105 -133.82 95.73 17.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.704 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.73 124.6 11.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -72.58 139.28 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG13 HD21 ' A' ' 96' ' ' LEU . 91.1 t -107.94 142.74 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -131.52 125.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -112.54 120.27 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.3 p -140.1 135.89 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -111.51 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.85 3.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.31 44.57 84.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.36 147.87 3.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.718 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.52 63.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.47 158.23 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.68 -28.24 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 p 48.04 41.39 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -131.84 -39.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -117.39 -18.96 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -89.33 137.91 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -117.51 108.33 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 80' ' ' VAL . 6.2 p -126.88 114.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -95.33 102.56 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.7 m -87.9 127.71 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -114.92 154.55 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.64 -8.0 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -108.02 -49.59 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -145.95 165.96 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.502 HG21 HD11 ' A' ' 96' ' ' LEU . 2.5 t -119.35 130.03 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.5 t -115.08 136.71 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 19.4 t80 -124.62 137.71 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -147.58 157.54 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 61.6 t -146.68 121.27 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -41.0 -60.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -124.47 130.06 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -96.59 81.18 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -77.45 144.69 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 37.0 mtp180 -37.37 -32.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' ALA . 46.3 t -54.33 -57.08 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.3 m-20 -36.54 -38.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASP . 25.2 p -38.11 117.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.71 -148.8 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -133.59 112.34 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.07 115.31 27.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -102.63 116.9 33.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HG13 ' A' ' 56' ' ' VAL . 1.9 tt -103.97 123.62 47.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.633 ' OG ' HG22 ' A' ' 106' ' ' THR . 73.7 m -129.4 123.15 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.02 114.89 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.39 134.84 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 54' ' ' PRO . 15.3 mm -126.32 159.65 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 25.2 mt-10 -34.15 -47.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -130.76 -31.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.442 ' HB3' ' CG ' ' A' ' 22' ' ' PRO . 84.5 mmm -84.49 166.92 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -159.63 148.67 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.461 ' OD2' HD12 ' A' ' 24' ' ' ILE . 11.6 t0 -135.18 160.24 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.633 HG22 ' OG ' ' A' ' 97' ' ' SER . 16.7 p -145.11 147.77 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.21 154.1 34.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.1 m -123.82 140.3 53.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.99 134.22 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -110.08 128.69 55.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.26 137.67 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.38 133.21 47.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.624 ' CG1' HG12 ' A' ' 38' ' ' VAL . 53.9 t -114.18 131.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.4 m -111.41 129.27 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -61.59 130.62 46.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' A' ' 103' ' ' MET . 64.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.828 0.347 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 51' ' ' LYS . . . -81.07 -45.06 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 34.6 tt0 -164.39 137.64 4.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.81 148.28 64.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.7 165.64 30.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -173.04 105.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.7 mt -78.57 107.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.638 HH11 ' NE2' ' A' ' 49' ' ' GLN . 44.9 mmm-85 -95.5 80.07 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -49.88 141.62 14.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.76 -164.58 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -114.59 -0.86 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 8.4 p80 -97.43 -30.55 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 44' ' ' LEU . 18.8 mt -79.67 -34.09 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 16.5 mtp-105 -40.72 -37.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 15.6 pt20 -101.87 140.06 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 3.5 m -35.41 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.49 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 112' ' ' ARG . 8.1 mm -89.29 120.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.31 148.53 29.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.08 161.01 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 87' ' ' ALA . 7.1 p -73.69 143.83 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.86 -10.69 17.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -72.73 148.55 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.51 132.66 48.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 86' ' ' ALA . 44.7 mt -99.56 144.95 28.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -146.82 106.92 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 30' ' ' LEU . 73.1 mt -127.89 104.08 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.82 97.42 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 t -100.76 102.19 18.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.742 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.58 57.66 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -140.02 141.58 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.638 ' NE2' HH11 ' A' ' 25' ' ' ARG . 20.5 mt-30 -101.53 170.31 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.7 162.5 10.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 42.4 mttt -157.7 157.58 29.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.77 -51.02 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.339 -0.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 3.7 tmm_? -135.09 94.48 15.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.807 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.72 127.26 14.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.568 ' O ' HG13 ' A' ' 98' ' ' VAL . 22.3 tt0 -70.01 136.62 50.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.702 HG13 HD21 ' A' ' 96' ' ' LEU . 62.5 t -111.24 139.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.7 134.22 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.979 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.4 m95 -117.48 132.19 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 p -139.8 150.17 44.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 27.4 tptp -113.67 89.99 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.83 38.88 76.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 50.09 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -171.61 156.19 4.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 54.0 Cg_endo -69.71 158.58 56.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 58' ' ' TRP . 18.5 mt -96.22 177.01 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' THR . 3.6 m-20 -114.06 77.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' ASP . 63.0 p -37.21 -37.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -43.85 -47.03 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.37 132.59 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -116.14 87.12 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.55 127.2 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -101.04 154.59 18.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -133.17 121.3 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -120.1 135.14 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.63 -40.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -70.86 -59.44 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -151.3 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.58 HG21 HD11 ' A' ' 96' ' ' LEU . 11.2 t -99.94 154.1 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.01 134.56 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -116.9 129.28 55.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -143.23 154.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 73.0 t -141.54 134.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.06 -43.65 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' H ' HG12 ' A' ' 83' ' ' VAL . 8.7 pt20 -147.41 123.45 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 42' ' ' LEU . . . -94.57 89.79 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.81 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -80.34 153.09 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' ALA . 53.7 mtm-85 -37.05 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ALA . 48.1 t -69.97 -51.79 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -43.11 -35.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 113' ' ' VAL . 2.2 t -57.9 140.72 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.81 -139.64 5.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.32 119.61 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.7 m-85 -97.85 150.27 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -133.36 116.52 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.979 HD12 ' CZ2' ' A' ' 58' ' ' TRP . 5.4 tt -106.55 115.28 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.467 ' OG ' HG22 ' A' ' 106' ' ' THR . 18.8 m -120.77 125.92 48.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 55' ' ' GLN . 58.4 t -92.65 112.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -95.28 129.93 42.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' PRO . 13.1 mt -133.92 160.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 12.9 mt-10 -26.2 -68.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -119.1 -17.88 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.493 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 92.9 mmm -91.86 156.79 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -154.89 159.1 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.483 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 6.3 t0 -149.68 158.39 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.467 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.7 p -143.94 158.67 43.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.13 161.13 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -130.39 151.69 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 74.6 mt -141.59 136.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -104.54 125.53 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 44' ' ' LEU . 34.4 mt -126.99 126.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' A' ' 35' ' ' ILE . 26.6 ttt180 -122.78 129.55 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' HB2' ' A' ' 91' ' ' SER . 50.3 t -107.99 120.71 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.89 144.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.33 125.18 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.548 ' H ' HG12 ' A' ' 38' ' ' VAL . 10.9 ptpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 19' ' ' ALA . 84.4 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -104.6 -37.64 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -152.72 134.25 8.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.65 63.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.5 Cg_endo -69.82 136.54 33.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 105.22 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 98' ' ' VAL . 26.3 mt -84.07 97.3 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.6 mmm180 -81.91 123.58 28.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.1 131.28 21.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.79 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -82.8 -45.21 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 19.1 p-80 -54.3 -18.37 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.702 HD21 HD22 ' A' ' 44' ' ' LEU . 12.7 mt -93.1 -45.01 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' LEU . 40.5 mtm180 -34.7 -40.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -98.62 167.1 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 m -60.25 104.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.84 115.83 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -98.5 125.37 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 114' ' ' VAL . 4.5 mmp_? -146.14 154.33 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -92.19 159.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 114' ' ' VAL . 59.2 t -67.93 143.29 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.25 -36.53 2.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.64 142.32 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.23 157.95 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.85 142.23 47.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.18 105.0 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.702 HD22 HD21 ' A' ' 30' ' ' LEU . 70.9 mt -127.6 104.35 7.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' VAL . 1.5 p -99.14 105.39 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.3 t -103.07 103.45 34.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.79 61.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 56' ' ' VAL . 24.6 p90 -142.32 143.74 32.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -114.32 155.14 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.97 157.93 8.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.649 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 9.2 mttm -147.78 160.78 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.81 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -131.64 95.99 21.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.608 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.78 136.26 32.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.291 . . . . 0.0 112.359 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' O ' HG13 ' A' ' 98' ' ' VAL . 3.1 tp-100 -79.61 151.27 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 96' ' ' LEU . 80.1 t -125.38 125.33 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.2 t -123.81 124.29 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -111.95 118.35 35.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 p -140.83 154.18 46.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.54 89.4 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 35.98 60.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.69 10.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.91 144.53 16.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 162.39 42.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.65 172.8 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' SER . 55.6 m-20 -104.47 76.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . 66.1 p -36.86 -31.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASP . 38.2 t -48.21 -50.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.69 -34.34 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.9 118.46 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -105.96 118.75 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.9 119.45 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.759 ' CB ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -88.18 96.4 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 m -105.16 117.75 34.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -119.72 179.86 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.85 7.13 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -120.52 -60.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 11.3 p-10 -146.36 165.56 28.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -119.26 142.58 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.759 HG22 ' CB ' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -121.93 154.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 63.6 t80 -118.48 129.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -131.06 151.88 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 75.5 t -147.41 127.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -55.54 -51.42 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -139.77 126.42 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.98 92.36 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.29 141.37 28.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ALA . 55.3 mtp85 -35.6 -40.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.1 m -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -40.09 -47.2 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.7 p -42.53 109.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.33 -144.97 4.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.39 103.5 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -88.01 120.57 29.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -106.27 118.68 37.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 56' ' ' VAL . 49.6 tp -101.92 114.97 29.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.07 153.45 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 24' ' ' ILE . 48.1 t -128.07 108.87 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -90.19 120.76 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.1 mm -118.25 160.32 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.8 mm-40 -31.36 -59.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -125.93 -21.32 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.475 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 56.1 mmm -90.95 166.17 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 105' ' ' ASP . 1.9 tmtm? -159.85 152.25 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 8.2 t0 -143.87 164.63 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -146.57 165.47 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -161.75 157.87 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.4 m -130.62 131.03 44.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 30' ' ' LEU . 57.2 mt -125.69 122.17 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -104.3 122.51 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 112' ' ' ARG . 92.0 mt -113.65 151.91 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 111' ' ' ILE . 41.5 ttt180 -135.67 131.68 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -112.1 124.89 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.1 m -108.05 140.28 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.69 152.87 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.7 pttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -85.8 -49.99 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -135.88 130.76 18.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.54 69.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.426 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.78 134.16 27.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -149.12 113.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.35 95.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -78.91 95.27 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.22 141.05 53.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.686 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -113.18 -13.0 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -88.03 -15.17 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.686 HD12 ' CG ' ' A' ' 27' ' ' PRO . 96.0 mt -96.33 -36.39 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' LEU . 79.6 mtt-85 -38.07 -45.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' THR . 11.5 pt20 -87.61 146.35 25.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' GLN . 17.9 m -35.6 110.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -71.26 113.0 7.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.33 131.22 48.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -145.3 148.34 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -89.13 158.22 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.43 142.26 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.16 -45.65 3.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.49 133.56 40.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.7 162.53 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.15 145.09 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -148.42 108.75 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.21 105.59 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.95 91.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.27 101.78 43.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 154.76 67.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.25 160.66 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -122.09 166.67 14.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.94 152.42 5.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mttt -149.48 160.49 34.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.717 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.77 -49.13 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.393 -0.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttp-105 -132.16 95.92 20.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.73 122.67 9.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -64.37 152.59 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -129.69 126.63 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -123.71 141.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 96' ' ' LEU . 34.3 m95 -127.68 118.73 24.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.4 p -145.35 134.84 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -107.06 80.17 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.87 50.94 3.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.26 62.93 5.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.39 145.49 1.49 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.45 3.7 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.5 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 3.1 p30 -112.41 83.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.4 p -48.82 -32.69 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.5 m -41.67 -51.48 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' NE ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -98.25 -40.39 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 72' ' ' VAL . 53.5 t -82.53 125.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -107.61 85.09 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.516 HG23 HG12 ' A' ' 70' ' ' VAL . 97.4 t -86.36 108.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -90.64 97.03 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -94.42 124.3 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.95 143.72 37.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.04 -35.57 11.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 17.3 p90 -81.82 -53.01 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.53 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 39.5 p30 -136.35 166.57 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -113.75 132.68 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.84 139.63 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.726 ' CE1' HG23 ' A' ' 83' ' ' VAL . 26.4 t80 -121.73 130.69 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -135.2 150.61 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.5 t -142.36 121.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' VAL . 8.7 ttt85 -36.03 -58.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -135.66 138.3 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.01 73.51 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.67 166.99 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 21.2 mtm105 -70.7 -24.84 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -72.15 -23.8 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.47 -38.0 65.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -41.75 140.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.22 -151.05 18.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.34 104.71 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.635 ' CD1' HD12 ' A' ' 111' ' ' ILE . 5.3 m-85 -87.19 120.11 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -102.32 119.13 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HB2' ' CH2' ' A' ' 58' ' ' TRP . 27.7 tp -99.79 119.35 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.78 167.04 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.1 t -145.61 108.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -90.95 131.85 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.8 mm -123.44 160.53 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 100' ' ' ILE . 4.0 mm-40 -29.7 -49.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -132.55 -33.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 40.1 mtp -84.97 166.26 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -159.79 151.42 20.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.75 158.24 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 p -140.2 161.22 38.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.6 158.59 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 54.7 m -129.71 139.71 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' TYR . 80.9 mt -130.02 138.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -109.43 127.81 54.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.635 HD12 ' CD1' ' A' ' 94' ' ' TYR . 63.1 mt -125.63 132.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.16 127.53 43.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.02 131.17 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.48 135.62 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' LYS . 12.2 mt-10 -61.68 121.79 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLU . 10.6 ptpt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 20' ' ' GLU . 87.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.329 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -81.01 -32.16 34.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 18' ' ' ILE . 29.1 tt0 -163.32 133.63 3.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.22 69.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 154.78 67.48 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 25' ' ' ARG . 5.4 tptm -164.08 115.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.5 mt -86.78 105.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 23' ' ' LYS . 2.0 mmp_? -89.86 87.99 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 5.5 mt -93.36 139.11 22.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.542 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.74 151.46 69.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -67.06 -12.98 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.586 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 6.1 p-80 -87.61 -6.25 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 14.4 mt -107.06 -35.28 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.09 -40.99 78.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.27 -75.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 34' ' ' TYR . 89.3 m -167.15 163.72 15.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' THR . 2.6 t80 -127.55 110.55 12.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 2.7 mm -99.78 125.7 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.96 138.85 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -67.63 166.0 15.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 114' ' ' VAL . 42.5 t -77.45 148.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.45 -37.35 3.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.8 145.59 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -75.12 130.83 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.478 ' OD1' HG23 ' A' ' 45' ' ' VAL . 38.7 t-20 -145.41 106.5 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 30' ' ' LEU . 35.0 mt -114.9 102.36 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.478 HG23 ' OD1' ' A' ' 43' ' ' ASN . 85.4 t -100.08 97.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.01 101.66 22.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 16.5 p90 -132.52 141.98 48.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.569 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 4.2 mp0 -104.79 171.13 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.16 167.96 12.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 19.4 mttt -154.36 160.07 31.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 -43.91 0.56 Allowed 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.351 -0.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -139.43 105.04 7.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.81 155.89 64.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -97.51 159.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.34 130.55 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.54 120.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 72.2 m95 -112.82 120.36 41.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 p -141.99 135.87 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 94' ' ' TYR . 15.3 mtpt -85.23 36.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.2 40.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.75 64.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.78 146.46 1.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.524 0.678 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.26 20.92 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 58' ' ' TRP . 13.1 mt -72.57 148.98 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.02 103.31 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.9 p -77.33 48.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -129.74 -32.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -120.29 -23.53 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 72' ' ' VAL . 59.9 t -88.12 138.22 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -123.51 82.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 HG12 ' A' ' 70' ' ' VAL . 66.6 t -88.31 120.43 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -108.75 95.95 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -86.59 126.34 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -113.92 137.69 51.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -39.96 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' SER . 46.8 m-85 -82.17 -59.69 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 13.7 p-10 -147.33 163.67 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -97.83 142.23 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.07 134.36 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE1' HG23 ' A' ' 83' ' ' VAL . 24.3 t80 -120.94 132.03 54.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -137.99 151.7 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 81' ' ' PHE . 85.5 t -137.94 123.1 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -36.46 -64.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.68 129.81 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.08 108.31 5.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.69 141.66 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -45.09 -23.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -72.97 -46.36 52.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 -35.27 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 m -46.73 108.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.72 -149.83 5.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.599 ' CD ' HG23 ' A' ' 108' ' ' THR . 13.2 tt0 -128.19 112.01 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CE1' HD12 ' A' ' 111' ' ' ILE . 4.8 m-85 -91.86 117.91 30.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.37 110.35 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 96' ' ' LEU . 2.2 tm? -96.41 121.47 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 106' ' ' THR . 19.5 m -129.12 143.75 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.01 110.38 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.02 117.29 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.5 mm -111.11 160.06 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' N ' HG22 ' A' ' 100' ' ' ILE . 36.7 mm-40 -32.32 -53.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -126.76 -27.47 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.477 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 86.4 mmm -86.49 162.81 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 106' ' ' THR . 5.8 tmtt? -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.65 162.16 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 97' ' ' SER . 3.8 p -143.84 163.21 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -162.01 160.57 27.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.599 HG23 ' CD ' ' A' ' 93' ' ' GLU . 72.2 m -130.37 121.49 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 110' ' ' ARG . 73.5 mt -108.76 155.73 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.48 ' N ' HG22 ' A' ' 109' ' ' ILE . 53.9 mtt180 -129.37 121.39 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 94' ' ' TYR . 84.0 mt -118.32 138.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 36.1 ttt180 -134.15 133.43 41.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.4 t -116.37 151.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 38' ' ' VAL . 11.4 m -137.64 153.47 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.58 129.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -147.54 111.0 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -100.45 169.45 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.2 139.45 13.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -172.89 148.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -110.77 161.4 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 157.28 8.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -147.48 164.7 32.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.336 . . . . 0.0 111.194 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.96 124.2 49.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.26 123.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -46.4 140.89 5.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.98 17.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.635 2.223 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.0 t -118.0 116.32 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.9 m -98.93 118.57 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.9 mt -154.2 136.43 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -52.77 145.26 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -110.83 150.56 28.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.602 HD13 ' HG3' ' A' ' 103' ' ' MET . 21.7 mt -75.72 148.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -83.44 -48.54 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -147.52 133.32 9.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.731 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.68 69.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.5 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.06 118.37 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -92.65 94.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -71.92 102.7 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 mt -91.96 124.81 59.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.631 ' CG ' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.77 166.21 28.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -73.63 -23.47 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 27' ' ' PRO . 22.7 p80 -78.21 -8.48 58.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 44' ' ' LEU . 20.6 mt -107.93 -11.18 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -83.65 28.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -161.39 143.72 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -37.72 106.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.72 99.35 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -85.19 121.34 36.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.1 mmp_? -142.13 167.47 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -100.1 164.36 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.41 147.04 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.99 -39.43 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -54.22 158.72 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -88.86 132.67 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.19 146.98 25.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -148.17 105.75 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 30' ' ' LEU . 70.5 mt -124.29 121.14 34.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -116.53 96.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 t -102.83 101.78 23.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.625 0.726 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.13 41.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 56' ' ' VAL . 37.0 p90 -129.68 140.52 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -110.0 159.97 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.93 170.69 13.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 32.7 mtmt -157.1 159.77 30.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.79 0.25 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.333 -0.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 94.25 19.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.83 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.2 Cg_endo -69.79 124.03 10.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.224 . . . . 0.0 112.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.98 153.43 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 48' ' ' PHE . 59.6 t -120.95 114.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.11 136.56 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -121.4 126.78 50.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 p -142.67 149.28 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 18.2 tptm -116.03 83.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.86 -23.84 29.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.4 -21.43 0.28 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.99 146.84 34.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.64 67.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.27 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 67' ' ' THR . 46.1 mt -54.33 140.72 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 65' ' ' LEU . 73.4 p 45.21 36.72 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.1 p -122.38 -37.98 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -116.76 -18.2 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.23 142.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.53 98.55 8.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.41 110.49 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -104.27 95.98 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.3 m -91.49 127.67 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.6 t -116.01 136.46 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' SER . 9.8 t70 -34.49 -41.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.76 -61.71 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -147.65 165.1 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.2 t -99.28 157.93 16.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -138.99 134.79 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.621 ' CD2' HD12 ' A' ' 44' ' ' LEU . 37.6 t80 -119.45 132.81 55.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -145.67 156.47 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 47.6 t -145.62 134.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -51.12 -57.45 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -135.03 124.75 25.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.49 92.18 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -75.47 143.25 42.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -45.44 -28.66 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 90' ' ' ASP . 47.8 m -63.48 -54.56 34.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.7 m-20 -36.11 -38.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.6 p -40.42 109.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.463 ' HA3' ' CE ' ' A' ' 60' ' ' LYS . . . -169.33 -139.31 2.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.1 tm-20 -133.52 123.1 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.4 m-85 -102.09 117.58 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -100.04 122.4 42.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -110.84 120.28 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 96' ' ' LEU . 35.3 m -122.32 137.17 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.31 122.21 55.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -93.08 136.4 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.6 mm -136.52 160.17 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.52 ' N ' HG22 ' A' ' 100' ' ' ILE . 32.9 mm-40 -33.12 -67.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.41 18.99 8.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.602 ' HG3' HD13 ' A' ' 18' ' ' ILE . 24.9 mtp -132.63 160.52 36.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -154.86 151.32 28.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.8 p -138.12 161.09 37.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.05 152.17 14.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.402 HG23 ' CG ' ' A' ' 93' ' ' GLU . 89.8 m -118.56 149.49 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.9 mt -140.76 125.5 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -95.28 127.69 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.719 HD12 ' CD1' ' A' ' 94' ' ' TYR . 66.7 mt -126.26 127.29 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -123.97 131.85 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.0 t -116.05 129.16 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.3 m -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.37 131.51 42.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -50.71 147.18 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.49 153.41 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -141.6 129.06 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -159.47 170.8 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.31 166.24 39.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p -169.99 176.64 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -163.12 173.73 13.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.51 151.61 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 p -133.8 172.41 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 111.112 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.684 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -129.04 114.14 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.48 106.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -142.8 144.18 28.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 168.94 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.4 116.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -95.59 134.51 38.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -121.49 146.64 26.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.28 149.7 49.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.68 155.9 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 42.9 mt -66.41 122.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.9 70.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -141.57 135.71 14.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.689 0.756 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 147.98 63.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' CG ' HG13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 148.47 65.19 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -159.68 114.08 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.31 96.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -80.21 111.65 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HD2' ' A' ' 27' ' ' PRO . 9.4 mt -98.74 143.14 25.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.9 Cg_endo -69.73 -165.65 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.371 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -116.42 3.15 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.8 p80 -106.72 -24.1 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' CG ' ' A' ' 27' ' ' PRO . 87.0 mt -82.28 -32.59 29.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -44.85 -46.62 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 17.9 mt-30 -83.1 142.76 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 8.3 m -35.61 112.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.94 118.71 10.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -103.43 120.72 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -141.14 146.67 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -80.14 158.5 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 114' ' ' VAL . 38.2 t -68.77 143.53 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.14 -26.11 3.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.18 144.01 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -73.26 134.33 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HB ' ' A' ' 83' ' ' VAL . 44.0 mt -91.22 148.4 22.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -148.33 112.4 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -127.4 111.61 14.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 80' ' ' VAL . 86.1 t -107.82 96.24 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.25 101.6 17.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.61 45.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.2 p90 -156.94 168.45 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -132.82 152.32 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.16 169.04 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.1 mtmt -162.45 161.2 20.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.81 -46.86 0.34 Allowed 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.321 -0.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -133.64 94.07 19.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.626 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.3 Cg_endo -69.78 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.03 142.57 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 96' ' ' LEU . 80.2 t -118.38 117.51 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.01 137.25 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.1 m95 -119.42 126.41 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.5 p -127.74 131.12 49.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HD3' ' CZ ' ' A' ' 94' ' ' TYR . 18.3 tptm -102.8 81.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.48 34.16 17.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.16 42.23 8.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.31 154.25 3.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.03 66.78 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.85 171.16 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.7 m-20 -99.68 82.16 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.8 p -38.9 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' ASP . 7.6 t -51.47 -47.25 63.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -104.88 -24.18 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -89.82 135.51 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -118.27 111.97 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 80' ' ' VAL . 24.3 t -123.64 122.05 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -98.99 95.86 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 m -92.69 123.44 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t -120.86 144.07 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.62 -36.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.19 -66.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.446 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.9 p30 -143.13 166.05 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -110.42 155.52 22.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 45' ' ' VAL . 94.9 t -136.79 153.04 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 83' ' ' VAL . 16.0 t80 -132.01 129.83 40.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -138.4 158.14 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 69.2 t -143.15 143.62 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 16.4 ttm105 -56.09 -55.55 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.51 138.72 38.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.29 89.38 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.73 145.53 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -48.59 -19.43 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -77.43 -37.51 51.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.75 -37.61 63.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -40.68 107.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.13 -146.78 4.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -133.21 110.23 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.692 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -90.01 120.24 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -107.51 108.97 20.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 56' ' ' VAL . 1.4 tt -95.92 121.66 37.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 106' ' ' THR . 58.5 m -125.65 129.25 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 75.8 t -95.86 109.37 22.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.45 121.97 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.8 mm -112.98 160.66 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.554 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.2 mt-10 -30.85 -60.22 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -118.66 -33.17 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 66.3 mtp -84.78 167.76 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 16.9 tttt -156.21 151.1 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 4.7 t70 -135.25 155.68 50.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.518 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.0 p -139.09 148.05 42.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.86 143.78 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.0 m -113.6 142.33 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' TYR . 44.7 mt -131.0 135.63 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -106.28 134.36 49.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.692 HD12 ' CD1' ' A' ' 94' ' ' TYR . 85.9 mt -133.7 142.16 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -136.34 140.43 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.54 139.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.8 m -122.43 163.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -80.61 161.2 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -78.17 128.64 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -83.05 46.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -165.52 135.01 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 p -173.57 169.37 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.7 137.2 2.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -154.73 115.65 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -151.75 172.1 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.49 91.44 2.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 10.5 t -136.46 126.75 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.11 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.96 116.35 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.33 128.42 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -86.78 149.13 47.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.42 17.51 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 p -79.48 8.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -52.24 91.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 17' ' ' GLU . 15.7 mt -126.66 138.02 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -87.43 31.05 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' H ' HG22 ' A' ' 15' ' ' ILE . 4.9 tp10 -93.37 143.85 25.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.679 HD11 ' HB2' ' A' ' 102' ' ' ASN . 53.1 mt -63.92 136.34 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.43 -42.58 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -146.39 132.25 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.436 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.4 Cg_endo -69.77 146.7 60.91 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -159.02 111.52 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mt -84.35 95.18 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -81.25 103.58 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -86.12 135.22 37.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.728 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.4 Cg_endo -69.81 -175.13 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -90.07 -10.56 44.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 6.7 p80 -96.07 -2.21 47.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 27' ' ' PRO . 77.2 mt -118.45 12.37 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -80.64 -36.91 31.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -110.6 168.37 9.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 m -47.36 118.86 2.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -73.23 115.93 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mm -92.81 128.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' VAL . 19.9 mmt180 -149.43 168.64 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -106.3 153.71 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.928 HG23 ' HA ' ' A' ' 87' ' ' ALA . 10.5 p -69.81 144.42 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.75 -11.36 14.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -83.22 143.14 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -60.09 147.67 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.809 HD12 ' HB ' ' A' ' 83' ' ' VAL . 20.1 mt -107.78 147.19 31.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -149.03 106.28 3.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 30' ' ' LEU . 35.4 mt -124.13 108.23 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 99.61 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 30' ' ' LEU . 13.6 t -109.25 101.72 46.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.46 40.12 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 56' ' ' VAL . 6.1 p90 -130.22 159.14 37.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -122.22 166.39 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.26 159.15 8.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 19.5 mttm -149.39 159.29 36.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -47.94 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.323 -0.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -132.24 99.34 16.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.75 131.86 22.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 98' ' ' VAL . 21.5 tt0 -84.04 140.68 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 48' ' ' PHE . 85.1 t -117.24 129.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.49 131.61 72.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' HD23 ' A' ' 96' ' ' LEU . 83.9 m95 -113.72 118.98 35.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.8 p -127.38 125.81 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HB2' HD21 ' A' ' 65' ' ' LEU . 7.1 tmtt? -104.07 90.22 3.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.57 48.11 7.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.48 48.49 84.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.56 149.91 1.38 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.73 20.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 60' ' ' LYS . 1.8 mt -102.27 175.74 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' SER . 6.5 m-20 -108.26 86.84 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.3 p -40.02 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' ASP . 47.7 t -54.69 -45.53 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -99.26 -36.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -88.08 145.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -126.87 84.67 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.3 t -92.67 116.89 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.48 97.27 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -87.05 136.38 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 t -125.92 142.43 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.37 -58.61 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.41 165.09 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 t -97.79 144.49 27.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.22 132.82 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 44' ' ' LEU . 19.6 t80 -117.18 129.45 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CD1' ' N ' ' A' ' 83' ' ' VAL . 2.0 t80 -140.24 154.21 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.809 ' HB ' HD12 ' A' ' 42' ' ' LEU . 35.3 t -145.49 135.21 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -54.98 -52.4 63.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -140.83 122.61 15.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -95.17 84.5 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.928 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -72.14 145.12 48.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' ALA . 65.0 mtp85 -33.89 -34.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 65.1 p -60.54 -49.1 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 87' ' ' ALA . 7.3 t70 -45.9 -38.19 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -43.52 136.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.55 -144.55 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -130.52 115.11 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.0 m-85 -92.87 118.98 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -90.79 113.28 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 58' ' ' TRP . 2.3 tm? -99.66 114.88 28.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.8 m -130.25 137.56 50.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 55' ' ' GLN . 13.7 t -105.51 114.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -93.08 115.78 28.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.2 mm -109.01 159.95 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 22.5 mt-10 -33.92 -52.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.679 ' HB2' HD11 ' A' ' 18' ' ' ILE . 31.2 m-20 -125.48 -28.95 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.409 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 89.6 mmm -86.08 161.98 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.39 130.72 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.04 164.54 15.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 p -141.16 161.24 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 96' ' ' LEU . . . -164.63 155.3 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.2 m -123.58 141.45 51.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 mt -132.49 139.2 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -112.09 126.06 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 94' ' ' TYR . 74.9 mt -120.89 128.8 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.97 124.38 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 36' ' ' ARG . 35.6 m -113.54 131.02 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 38' ' ' VAL . 4.4 pt-20 -69.91 122.85 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -54.8 121.52 8.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.07 178.69 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.447 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m 52.53 42.43 31.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -157.81 135.33 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.85 129.02 2.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -174.87 121.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -166.87 117.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.54 -34.94 2.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -55.5 168.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.176 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.73 10.74 5.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.1 143.7 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -143.58 143.22 22.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -173.1 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.298 . . . . 0.0 112.299 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.72 67.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 t -165.51 147.88 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.8 mp -124.44 151.65 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -37.23 138.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.19 144.56 29.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 102' ' ' ASN . 49.6 mt -77.55 127.73 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -65.07 -40.51 94.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 51' ' ' LYS . 20.9 tt0 -155.2 134.46 7.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.698 0.761 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 150.79 68.36 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.236 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.422 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.9 Cg_endo -69.72 149.57 67.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -165.16 121.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.451 HD11 HG23 ' A' ' 98' ' ' VAL . 82.2 mt -95.78 96.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -74.95 97.5 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.17 137.33 32.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.6 Cg_endo -69.79 -167.83 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -104.62 -10.24 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -92.99 -8.51 42.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 HD22 ' A' ' 44' ' ' LEU . 16.2 mt -97.12 -37.58 10.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 15.1 mtp-105 -38.63 -49.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -86.69 152.52 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.4 m -45.99 120.19 2.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -72.92 107.96 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 112' ' ' ARG . 6.1 mm -98.72 126.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 114' ' ' VAL . 6.0 mmp_? -145.37 153.56 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HD2' ' CB ' ' A' ' 116' ' ' LYS . 35.3 mtmt -84.63 152.66 23.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 39' ' ' GLY . 32.9 t -61.97 154.73 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.431 ' N ' ' CG1' ' A' ' 38' ' ' VAL . . . 83.44 -46.69 3.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.05 156.09 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -80.88 154.48 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 58.2 mt -110.31 102.25 10.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -104.07 119.48 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.754 HD22 HD21 ' A' ' 30' ' ' LEU . 15.9 mt -134.78 102.13 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.58 95.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 79' ' ' THR . 21.2 t -99.42 101.77 14.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 138.65 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 5.1 p90 -137.08 149.06 47.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -118.27 154.83 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.4 165.08 15.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 31.8 mmtp -155.72 153.14 25.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.59 0.709 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.78 -50.79 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.305 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -134.76 96.79 14.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 122.47 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.63 148.12 48.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 96' ' ' LEU . 90.1 t -116.65 137.84 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.81 120.44 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.748 ' CD1' HG11 ' A' ' 72' ' ' VAL . 61.5 m95 -110.68 118.24 35.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 58' ' ' TRP . 6.0 p -158.87 122.27 3.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -102.91 129.53 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.04 -9.38 12.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.04 35.5 3.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.69 146.57 20.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.66 4.2 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.919 HD23 HG21 ' A' ' 70' ' ' VAL . 8.2 mp -45.52 154.88 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.72 -13.38 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.6 p 44.54 39.22 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -120.7 -36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -116.21 -23.23 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.919 HG21 HD23 ' A' ' 65' ' ' LEU . 93.3 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -93.21 100.95 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 58' ' ' TRP . 32.0 t -107.11 111.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 4.5 mmm180 -96.86 96.29 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.6 m -83.37 108.8 16.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -112.52 134.48 54.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.4 m-85 -83.05 -60.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 7.3 p-10 -151.04 165.74 32.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 46' ' ' VAL . 9.7 t -100.75 156.3 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -138.54 136.77 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 24.2 t80 -121.71 129.61 52.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -132.82 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 9.6 t -146.54 128.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.49 -61.13 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -133.67 126.87 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.82 85.88 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.01 136.67 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -41.62 -33.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -56.57 -51.8 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' SER . 27.8 t70 -44.19 -41.26 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' ASP . 26.4 p -36.19 119.31 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.61 -156.2 16.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.53 109.55 13.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 60' ' ' LYS . 2.9 m-85 -89.51 120.68 31.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -108.04 111.26 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 56' ' ' VAL . 13.9 tp -95.69 118.04 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.77 125.37 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.451 HG23 HD11 ' A' ' 24' ' ' ILE . 29.1 t -96.34 106.74 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.29 126.31 35.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.4 mm -120.86 159.97 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 27.7 mm-40 -33.17 -49.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' HB3' HD11 ' A' ' 18' ' ' ILE . 7.5 t-20 -130.73 -31.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.422 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 88.6 mmm -84.01 165.57 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 ttpt -159.74 151.57 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 104' ' ' LYS . 1.4 m-20 -142.82 159.91 41.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 p -140.71 163.6 32.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -162.13 161.28 28.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.8 m -128.26 137.9 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 116.81 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 17.3 mtm105 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -117.98 129.2 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . 34.9 ttt85 -126.73 130.54 50.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.53 124.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' ARG . 31.5 m -110.72 140.7 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.28 143.37 55.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -94.26 55.94 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.7 156.05 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -129.24 150.47 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -150.15 138.37 20.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.26 153.35 6.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -110.02 101.48 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -86.36 49.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.24 86.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.1 101.34 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 111.118 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.7 tp -162.24 112.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.14 85.04 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -57.34 117.26 17.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -178.3 2.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.645 2.23 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 t -124.22 84.38 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.1 m -77.65 147.72 35.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mm -99.65 149.46 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.33 158.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.31 149.11 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 102' ' ' ASN . 79.8 mt -76.62 138.99 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.1 -53.69 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.1 tp10 -138.67 132.09 16.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 148.13 64.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.77 116.25 4.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -125.26 118.93 27.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 106' ' ' THR . 84.4 mt -90.07 107.36 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -88.81 108.93 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.25 133.66 21.31 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.77 -168.76 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -95.37 -40.09 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.3 p-80 -60.02 -17.89 42.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.799 HD21 HD22 ' A' ' 44' ' ' LEU . 14.7 mt -90.15 -49.29 6.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.7 mtp85 -33.96 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . 33.7 mt-30 -100.25 161.11 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -52.49 120.84 6.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -74.06 100.6 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mm -90.33 125.43 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -147.92 143.32 27.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 116' ' ' LYS . 32.0 mtpt -78.6 154.08 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 114' ' ' VAL . 20.3 t -66.2 148.66 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.49 -39.38 2.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -57.28 150.38 18.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -73.45 147.89 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.1 mt -104.22 143.36 33.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -147.3 112.26 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.799 HD22 HD21 ' A' ' 30' ' ' LEU . 94.3 mt -130.77 113.78 14.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.78 94.76 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 5.3 t -100.06 101.76 15.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.72 146.53 60.73 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -141.53 155.33 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -120.05 174.26 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.6 162.93 10.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 25.9 mttt -155.71 160.81 30.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.79 -48.45 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -134.29 97.41 14.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.2 Cg_endo -69.83 141.37 44.78 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -96.64 135.04 39.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.5 t -100.72 153.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' HG12 ' A' ' 56' ' ' VAL . 61.5 t -144.19 121.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 65' ' ' LEU . 77.2 m95 -108.65 126.66 53.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 p -155.54 142.05 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -101.49 81.73 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.08 -43.18 2.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.73 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.1 147.38 19.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.87 13.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 58' ' ' TRP . 42.7 mt -44.54 151.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.91 -31.26 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 65' ' ' LEU . 68.1 p 50.22 32.51 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -118.69 -40.2 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -116.51 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.54 128.01 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.2 110.4 22.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' VAL . 2.4 p -128.58 127.29 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -119.17 102.09 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' HB ' ' A' ' 79' ' ' THR . 6.6 m -82.77 127.6 33.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -101.45 -177.57 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -20.62 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -105.98 -49.86 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 14.5 p30 -141.88 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 74' ' ' THR . 7.5 t -107.6 163.78 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 72' ' ' VAL . 44.6 t -137.83 132.01 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 7.0 t80 -121.28 129.95 53.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.88 153.76 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 21.6 t -139.79 132.94 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -51.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -129.81 126.51 38.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.3 102.0 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.75 139.47 30.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -42.87 -38.29 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -56.06 -45.79 79.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' SER . 3.4 m-20 -39.84 -42.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' ASP . 98.4 p -37.21 119.1 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.98 -149.77 7.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -131.73 111.73 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.402 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.0 m-85 -88.15 118.97 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -100.51 122.97 44.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.8 tp -111.26 115.87 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 m -127.89 122.62 32.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.5 t -92.79 116.63 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -93.05 124.11 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 54' ' ' PRO . 20.2 mm -115.5 160.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 100' ' ' ILE . 53.3 mm-40 -33.11 -49.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' HB3' HD11 ' A' ' 18' ' ' ILE . 17.5 t-20 -130.27 -31.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.414 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 75.3 mmm -84.09 167.24 16.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -159.93 142.15 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -128.83 162.78 26.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.573 ' O ' HD12 ' A' ' 24' ' ' ILE . 82.7 p -138.76 166.08 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.09 12.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.3 m -130.31 141.84 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.57 132.92 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -103.17 117.81 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 94' ' ' TYR . 57.5 mt -118.46 121.53 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -118.06 131.58 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.73 132.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 14.7 m -115.65 158.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.84 124.56 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -45.4 -31.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 116' ' ' LYS . . . -88.69 90.09 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -167.56 173.29 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -107.92 151.33 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.95 89.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 71.9 m -137.69 168.19 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 42.3 m -36.77 -46.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.66 49.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -126.32 128.39 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -122.58 131.34 53.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' C ' ' CD ' ' A' ' 11' ' ' GLN . . . -172.4 131.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' CD ' ' C ' ' A' ' 10' ' ' ALA . 1.1 pm0 -167.6 141.09 2.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.96 8.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -145.22 105.44 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -133.67 131.46 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -119.76 133.48 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -101.27 126.33 48.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -108.22 157.28 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.1 mt -82.22 133.33 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -57.06 -51.42 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -143.26 131.34 11.14 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.16 69.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 141.75 46.24 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -157.13 120.65 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.4 99.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -82.05 105.7 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -86.21 141.73 35.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.723 ' CG ' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.76 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.46 3.1 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 4.4 p80 -106.01 -18.6 13.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD12 ' CG ' ' A' ' 27' ' ' PRO . 92.8 mt -89.87 -34.28 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -45.98 -42.17 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 14.6 pt20 -92.26 142.95 26.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 4.8 m -34.79 107.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -69.68 114.49 7.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mm -100.62 127.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.14 142.4 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -75.43 158.98 31.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 114' ' ' VAL . 9.5 m -74.03 158.47 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.46 -36.76 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.13 155.25 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -77.18 154.54 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 83' ' ' VAL . 11.6 mt -111.98 123.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -117.59 119.34 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 30' ' ' LEU . 27.0 mt -133.81 101.12 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.73 92.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.54 101.79 19.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' CB ' ' A' ' 78' ' ' ASP . 53.9 Cg_endo -69.75 161.95 43.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 19.4 p90 -166.64 155.51 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.19 148.21 4.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.7 mtpp -148.62 161.04 34.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.74 -49.48 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.368 -0.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.02 95.17 34.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.77 126.73 13.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' HG13 ' A' ' 98' ' ' VAL . 4.9 tt0 -69.77 163.59 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 96' ' ' LEU . 84.7 t -143.23 132.67 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.86 128.11 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 96' ' ' LEU . 47.8 m95 -113.76 125.05 53.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -139.27 164.96 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 31.0 mtpt -119.16 38.89 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.73 -31.41 3.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.56 -36.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.17 151.81 38.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -178.63 2.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.93 178.7 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -114.33 81.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.1 p -40.32 -28.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 t -50.37 -49.21 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -97.75 -44.89 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -82.85 135.35 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.75 103.82 13.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 80' ' ' VAL . 90.5 t -119.02 107.91 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 80' ' ' VAL . 17.6 ptt180 -92.43 102.68 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 m -92.76 146.07 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' PHE . 7.4 t -139.02 139.44 37.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' OD2' ' CE1' ' A' ' 77' ' ' PHE . 4.0 p-10 -39.53 -28.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE1' ' OD2' ' A' ' 76' ' ' ASP . 14.2 m-85 -79.04 -68.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 5.9 p-10 -141.48 164.51 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.02 153.94 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 72' ' ' VAL . 46.7 t -136.75 136.63 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -119.96 137.89 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -147.03 136.43 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -135.79 129.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -52.9 -58.03 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.9 128.86 48.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 74.67 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.45 153.71 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.56 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' ALA . 58.4 m -68.06 -43.8 77.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' HG21 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -50.12 -43.46 51.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.821 ' HB2' HG23 ' A' ' 113' ' ' VAL . 1.4 t -52.95 145.33 12.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.813 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 160.82 -136.44 4.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -133.05 103.55 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' A' ' 111' ' ' ILE . 4.5 m-85 -87.66 114.56 24.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.48 124.1 44.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 56' ' ' VAL . 43.6 tp -112.65 139.04 48.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.3 OUTLIER -139.65 160.03 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' GLN . 86.5 t -132.53 109.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -90.66 127.71 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 54' ' ' PRO . 4.1 mm -122.53 160.45 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.7 mm-40 -30.24 -59.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -125.12 -19.04 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 89.1 mmm -95.89 166.08 11.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -160.08 152.85 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -140.47 160.07 40.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 97' ' ' SER . 3.2 p -143.63 162.66 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -166.06 148.24 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.2 m -123.44 134.76 53.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.42 147.48 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -117.87 123.17 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 94' ' ' TYR . 75.6 mt -120.51 135.92 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -125.67 130.53 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.821 HG23 ' HB2' ' A' ' 91' ' ' SER . 99.5 t -110.89 134.12 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 38' ' ' VAL . 17.4 m -118.19 150.69 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -80.95 152.15 28.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -73.68 143.24 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.68 127.04 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -168.83 165.81 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -149.83 158.08 43.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.38 152.79 10.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -152.88 115.3 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -139.05 177.19 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.42 67.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -139.71 135.44 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.0 mt -153.55 137.6 16.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.34 106.56 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -66.39 146.69 99.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -149.48 131.53 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 t -105.15 147.73 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.748 HG22 ' H ' ' A' ' 17' ' ' GLU . 5.1 mp -123.09 133.6 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -106.39 30.91 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 15' ' ' ILE . 35.9 tt0 -66.74 156.58 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.74 HD13 ' HG3' ' A' ' 103' ' ' MET . 69.3 mt -48.09 132.34 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -79.38 -48.21 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 12.7 tp10 -149.26 130.43 7.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 150.09 67.83 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -150.6 106.73 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.83 87.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.0 mmm180 -65.23 109.1 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -101.19 135.72 19.85 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.46 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.3 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.32 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -107.84 1.22 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -106.44 7.35 30.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 27' ' ' PRO . 47.6 mt -132.68 12.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -80.77 -34.48 34.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -101.22 -68.37 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 35' ' ' ILE . 92.8 m -166.28 140.43 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.02 98.99 11.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -84.07 130.45 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -152.71 151.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -81.72 164.78 21.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 113' ' ' VAL . 3.6 m -81.81 152.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.95 -25.24 4.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.28 160.66 31.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.346 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -85.73 126.05 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.49 143.22 30.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -148.59 110.33 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 81' ' ' PHE . 46.4 mt -120.85 114.53 21.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -109.91 90.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.14 101.75 28.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.81 67.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -143.13 146.5 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -110.28 167.99 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 137.02 154.49 6.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.6 mptt -144.62 160.51 47.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.75 -49.31 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.317 -0.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.64 101.35 11.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.593 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.76 121.75 8.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.23 . . . . 0.0 112.322 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -76.13 135.9 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 74' ' ' THR . 86.3 t -101.2 149.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.7 t -151.04 120.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.433 ' CE2' HD13 ' A' ' 96' ' ' LEU . 84.4 m95 -106.22 139.72 40.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 p -151.52 143.55 23.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.451 ' HZ1' ' HA3' ' A' ' 92' ' ' GLY . 15.4 tttp -108.46 75.43 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.03 -45.77 1.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.99 42.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -166.18 158.75 12.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.9 Cg_endo -69.76 140.11 41.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 67' ' ' THR . 29.1 mt -58.52 158.64 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -20.53 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 65' ' ' LEU . 10.9 p 39.42 40.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -128.32 -36.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -115.98 -21.8 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 72' ' ' VAL . 96.6 t -89.49 132.07 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -103.36 83.21 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 70' ' ' VAL . 59.7 t -87.11 104.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -103.81 98.26 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 56' ' ' VAL . 40.6 m -99.78 144.53 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.6 p -134.95 155.47 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.93 -19.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -85.27 -65.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -149.63 165.95 30.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -97.82 150.07 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.39 131.67 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 44' ' ' LEU . 19.1 t80 -119.83 129.48 54.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -139.27 151.25 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.492 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 71.0 t -147.34 124.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -37.95 -66.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -129.33 128.71 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.8 91.58 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -81.71 148.67 28.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' ALA . 83.1 mtm-85 -34.49 -46.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 m -46.39 -50.68 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' SER . 12.8 t70 -38.07 -49.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' ASP . 19.5 m -35.8 118.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.451 ' HA3' ' HZ1' ' A' ' 60' ' ' LYS . . . -173.96 -148.92 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.594 ' OE2' HG23 ' A' ' 108' ' ' THR . 4.0 tm-20 -129.3 115.12 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.92 125.1 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.98 119.2 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 58' ' ' TRP . 57.5 tp -105.21 124.36 49.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.546 ' HB3' HG22 ' A' ' 106' ' ' THR . 0.6 OUTLIER -121.72 167.61 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 77.9 t -144.14 117.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -92.0 136.19 33.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.6 mm -138.58 160.21 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.508 ' N ' HG22 ' A' ' 100' ' ' ILE . 7.8 mm-40 -31.45 -67.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.606 ' HB2' HD11 ' A' ' 18' ' ' ILE . 36.1 m120 -129.45 28.24 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.74 ' HG3' HD13 ' A' ' 18' ' ' ILE . 21.5 mtp -141.67 157.75 44.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -158.39 148.6 20.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -143.26 143.37 31.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 97' ' ' SER . 14.0 p -124.9 149.57 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -140.29 154.89 46.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.594 HG23 ' OE2' ' A' ' 93' ' ' GLU . 78.7 m -120.93 132.99 55.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -120.8 116.45 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.94 148.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 12.9 tpt180 -129.85 144.72 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.743 HG12 HG12 ' A' ' 38' ' ' VAL . 61.4 t -134.8 119.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' VAL . 33.4 m -116.65 142.04 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.76 134.75 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -67.57 -47.12 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.87 171.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -115.82 167.72 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -111.11 -60.1 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.42 168.76 7.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -171.64 164.35 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 m -155.44 178.05 10.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.83 -164.43 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -162.69 163.32 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 10' ' ' ALA . 2.3 tt -138.85 145.37 39.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.618 ' N ' HD23 ' A' ' 9' ' ' LEU . . . -143.42 179.13 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -134.93 134.86 22.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.98 32.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.77 119.95 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -161.02 167.06 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 15' ' ' ILE . 5.2 mp -94.17 138.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.95 146.99 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -118.04 175.1 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 102' ' ' ASN . 80.0 mt -88.78 146.28 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . . . -77.71 -42.79 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' ' N ' ' A' ' 51' ' ' LYS . 4.0 tp10 -149.81 131.78 7.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.2 67.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.3 Cg_endo -69.81 142.75 48.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -157.64 110.6 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.3 mt -84.98 100.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -76.39 101.59 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 mt -82.32 127.27 71.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.729 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' CD ' HD12 ' A' ' 30' ' ' LEU . 54.4 Cg_endo -69.75 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -100.6 -9.74 21.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.9 p80 -97.48 2.03 49.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.908 HD21 HD22 ' A' ' 44' ' ' LEU . 97.0 mt -120.19 4.54 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -77.62 -15.38 59.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -135.81 174.54 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -57.38 115.53 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.1 123.77 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -113.62 119.87 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.3 mmt180 -147.28 164.1 34.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -96.69 146.76 24.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 114' ' ' VAL . 30.1 t -57.83 152.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.97 -41.74 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -59.08 142.17 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 5.2 mt-30 -73.99 127.32 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 15.8 mt -79.64 147.96 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.29 107.63 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.908 HD22 HD21 ' A' ' 30' ' ' LEU . 33.6 mt -129.51 102.15 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.2 p -106.61 100.63 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 79' ' ' THR . 2.3 t -99.8 101.82 15.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.725 . . . . 0.0 111.146 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.87 41.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 12.5 p90 -126.17 162.23 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -125.13 154.26 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 147.38 170.23 15.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 31.5 mmtp -152.46 154.77 32.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.543 0.687 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.77 -44.45 0.51 Allowed 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.335 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -142.53 106.29 5.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.582 0.706 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 133.98 26.94 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 4.1 tp-100 -80.45 150.31 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 58.9 t -122.12 135.49 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.18 121.02 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -108.88 136.14 48.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 p -143.21 147.94 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 21.7 tptp -114.91 88.01 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 39.93 35.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.11 49.41 9.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.86 154.81 1.84 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.31 57.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -92.49 174.03 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.26 95.24 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 p -55.6 -14.28 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 p -64.76 -17.0 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -134.38 -41.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.83 133.6 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -118.41 98.62 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -99.59 120.3 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -99.09 97.2 8.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -93.51 123.79 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 p -123.23 143.19 50.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -26.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -80.51 -68.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -143.9 165.24 28.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.9 t -98.02 149.83 22.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 132.76 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -121.59 129.31 52.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -144.87 148.41 33.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' HB ' HD12 ' A' ' 42' ' ' LEU . 96.9 t -138.04 129.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -40.03 -61.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -132.6 132.6 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.487 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -82.2 88.11 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.58 173.93 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.6 ' HE ' HG21 ' A' ' 38' ' ' VAL . 11.4 mmt85 -69.19 -16.78 63.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 91' ' ' SER . 3.2 m -85.02 -45.48 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.8 m-20 -35.14 -31.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.5 t -60.69 145.7 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.12 -142.61 8.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.518 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 3.2 tt0 -132.97 105.74 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 4.3 m-85 -87.78 121.68 30.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -96.84 126.42 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 tp -120.69 110.19 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.2 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.4 t -97.85 114.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.95 120.18 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 54' ' ' PRO . 7.9 mm -115.98 160.0 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 100' ' ' ILE . 11.8 mt-10 -32.77 -53.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 4.5 m120 -127.02 -29.04 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.47 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 96.3 mmm -85.42 163.67 18.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -159.9 137.53 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.08 163.44 22.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.9 p -137.68 160.3 39.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.32 151.77 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.518 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 42.4 m -129.71 131.04 46.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.98 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -109.52 134.01 52.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.1 mt -126.85 145.62 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -138.74 133.68 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.561 ' CG1' HG22 ' A' ' 38' ' ' VAL . 36.3 t -114.43 121.66 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.5 m -95.51 142.48 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 15.8 mt-10 -62.66 135.43 57.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -83.96 36.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.54 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -142.88 166.03 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -133.49 176.02 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.96 90.72 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 p -173.11 144.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -111.89 161.67 16.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.47 -178.27 18.37 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.9 154.77 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -128.47 87.54 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.78 127.73 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' NE2' ' H ' ' A' ' 11' ' ' GLN . 2.1 pm0 -130.63 151.43 78.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.87 38.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -106.8 139.02 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -165.79 140.57 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.3 mt -131.27 127.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -39.49 143.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.75 161.01 17.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 102' ' ' ASN . 24.2 mt -82.26 140.33 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.08 -29.29 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 18' ' ' ILE . 24.3 tp10 -159.51 132.46 4.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.68 65.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 151.77 69.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.24 112.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.48 109.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -91.74 97.09 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 27' ' ' PRO . 4.3 mt -87.76 144.75 35.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.692 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -107.16 2.55 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.6 p80 -108.56 1.29 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.692 HD12 ' CG ' ' A' ' 27' ' ' PRO . 25.6 mt -127.9 30.31 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -102.4 -20.57 14.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -124.38 -57.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 m -168.82 142.29 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . 8.8 t80 -105.69 102.34 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -84.19 118.81 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -137.81 144.37 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -78.7 150.17 32.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.5 m -68.42 153.92 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.75 -42.82 2.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.65 160.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.52 131.84 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 13.0 mt -84.72 148.54 26.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -147.96 106.82 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 HD21 ' A' ' 30' ' ' LEU . 28.5 mt -124.06 102.57 7.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 80' ' ' VAL . 59.3 t -101.99 97.57 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -105.32 101.8 33.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 144.5 53.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 21.7 p90 -131.22 162.63 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -128.66 162.07 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.61 162.87 9.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.539 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.0 mmtm -146.7 153.98 47.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.625 0.726 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.76 -49.34 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.339 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.83 103.4 12.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.605 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.76 122.94 9.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 98' ' ' VAL . 44.8 tp60 -70.29 147.5 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -116.43 144.33 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -139.42 146.11 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 96' ' ' LEU . 68.2 m95 -131.19 138.22 49.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.0 p -145.42 133.97 22.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -111.9 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.65 31.71 7.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.58 16.69 77.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.78 144.81 34.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.13 66.59 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.618 HD23 HG21 ' A' ' 70' ' ' VAL . 2.3 mp -86.22 162.29 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' SER . 29.6 t70 -100.48 11.43 39.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 p 39.83 28.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.4 t -97.33 -40.52 8.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -112.86 -15.6 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.618 HG21 HD23 ' A' ' 65' ' ' LEU . 65.6 t -98.4 138.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' ND1' ' C ' ' A' ' 71' ' ' HIS . 5.0 t-80 -113.02 102.91 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -118.41 145.92 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -129.84 100.07 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -89.59 132.42 35.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' PHE . 82.5 p -127.54 138.19 52.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.8 p-10 -36.83 -33.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' SER . 43.0 m-85 -73.77 -68.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -145.75 165.09 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.492 HG21 HD11 ' A' ' 96' ' ' LEU . 10.2 t -98.86 144.34 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 45' ' ' VAL . 43.1 t -132.13 136.55 56.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 83' ' ' VAL . 10.9 t80 -119.98 131.92 55.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -145.79 150.25 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 81' ' ' PHE . 55.6 t -137.03 149.36 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -56.75 -53.93 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.5 131.63 40.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.657 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -85.3 44.67 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.33 152.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -41.71 -51.36 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' ASP . 51.8 p -41.69 -53.87 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -35.46 -48.53 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASP . 29.9 p -37.74 117.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.59 -149.78 6.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CG2' ' A' ' 108' ' ' THR . 6.0 tt0 -133.52 112.04 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.3 m-85 -96.48 119.82 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.78 114.73 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 97' ' ' SER . 3.2 tt -95.91 128.18 42.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.496 ' N ' HD23 ' A' ' 96' ' ' LEU . 55.5 m -131.04 118.66 20.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 55' ' ' GLN . 79.7 t -92.78 113.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -94.02 129.32 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 54' ' ' PRO . 10.7 mm -118.42 160.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 100' ' ' ILE . 17.3 mt-10 -32.6 -48.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.565 ' HB3' HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -130.97 -31.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 87.0 mmm -84.84 166.47 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.09 24.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -138.14 161.75 35.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.8 p -143.83 158.5 43.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.59 153.12 12.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 93' ' ' GLU . 90.4 m -124.17 136.45 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.12 144.15 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.5 mtm-85 -111.14 117.3 32.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.531 HD12 ' CD1' ' A' ' 94' ' ' TYR . 83.2 mt -116.58 121.61 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -121.02 128.76 52.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.827 ' CG1' HG12 ' A' ' 38' ' ' VAL . 78.0 t -103.33 144.18 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 38' ' ' VAL . 29.4 m -133.86 141.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.08 137.31 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 1.1 tmtp? -49.59 123.53 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 100.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -172.41 149.26 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -159.86 160.53 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.69 166.9 18.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -167.23 118.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -152.86 128.08 9.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.73 -143.36 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -117.88 110.86 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.26 88.37 7.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.4 101.94 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -165.16 130.46 1.97 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.56 0.695 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 178.03 4.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.98 95.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.2 m -116.03 139.71 50.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.88 131.18 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 3.7 tpp85 -83.18 24.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 16' ' ' ARG . 1.3 mp0 -116.71 154.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mt -83.18 136.72 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.0 -49.49 76.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 2.4 tp10 -156.76 133.58 6.42 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.651 0.739 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 151.52 68.79 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -169.07 132.65 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.532 HD13 ' CB ' ' A' ' 107' ' ' ALA . 22.3 mt -105.65 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -78.15 106.73 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.26 142.56 26.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.73 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -105.56 -5.94 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 1.8 p80 -101.13 0.54 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 27' ' ' PRO . 93.2 mt -119.05 -0.39 11.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -70.35 -48.06 58.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -87.44 -67.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' TYR . 19.8 m -168.8 154.22 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HD21 ' A' ' 44' ' ' LEU . 3.0 t80 -105.71 97.29 7.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 37.1 mm -88.66 121.79 39.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -147.91 148.45 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -77.68 159.27 29.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.933 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.9 m -75.41 160.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -39.41 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.54 178.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.7 134.7 42.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.68 103.21 15.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -105.44 115.31 30.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 81' ' ' PHE . 4.0 mt -129.19 124.04 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -119.19 93.25 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.62 101.73 19.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 148.01 64.72 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 27.8 p90 -143.79 156.96 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -123.64 152.74 41.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.47 157.19 8.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 14.2 mtpt -151.77 160.87 30.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.73 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.359 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -130.71 91.68 36.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.72 121.62 8.32 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -77.79 137.96 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.1 t -101.52 139.99 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.4 t -128.51 123.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -109.14 132.3 54.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.7 p -152.51 144.83 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -109.06 80.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.26 -31.04 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.06 42.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.465 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.78 147.34 8.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.83 33.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.6 149.67 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.14 -19.92 8.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.3 p 43.79 30.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -111.55 -43.04 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -112.18 -23.11 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 72' ' ' VAL . 84.7 t -84.54 136.84 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -116.32 83.36 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 70' ' ' VAL . 86.0 t -85.12 116.23 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -102.51 98.01 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -91.38 141.76 28.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' PHE . 22.7 p -137.35 135.74 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 29.8 t70 -35.58 -33.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 91.7 m-85 -74.48 -74.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 25.1 p30 -135.52 163.54 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.3 t -99.04 150.76 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -133.04 137.48 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CE2' HG23 ' A' ' 83' ' ' VAL . 71.5 t80 -120.72 131.59 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -137.57 146.89 44.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 ' CE2' ' A' ' 81' ' ' PHE . 42.7 t -147.39 126.51 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -42.7 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.17 135.05 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.08 84.26 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -81.33 139.8 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' ALA . 5.7 mtm105 -34.62 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 87' ' ' ALA . 34.8 t -58.85 -49.3 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ALA . 9.7 m-20 -51.44 -41.64 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -37.86 140.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.15 -149.28 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -125.97 110.37 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.51 ' CD1' HD12 ' A' ' 111' ' ' ILE . 3.8 m-85 -89.02 116.17 27.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -95.85 118.46 32.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 tp -108.38 117.08 33.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.84 142.74 50.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.8 t -112.1 125.63 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 100' ' ' ILE . 44.6 tt0 -97.33 145.13 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.658 HD11 ' HB3' ' A' ' 54' ' ' PRO . 18.5 mm -142.83 160.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.544 ' N ' HG22 ' A' ' 100' ' ' ILE . 12.9 mm-40 -33.04 -66.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -125.91 24.35 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.6 mtp -140.39 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.77 138.03 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.88 161.73 24.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.5 p -134.12 160.71 36.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.532 ' CB ' HD13 ' A' ' 24' ' ' ILE . . . -159.93 143.99 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.2 m -114.45 137.22 52.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 73.0 mt -133.18 122.98 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -98.3 129.29 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 94' ' ' TYR . 94.3 mt -122.61 123.33 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 29.6 ttt180 -114.07 132.78 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.933 ' CG1' HG12 ' A' ' 38' ' ' VAL . 56.0 t -113.6 127.77 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.9 m -114.98 145.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.66 154.48 41.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.68 103.31 11.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.46 154.95 43.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -120.8 -55.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -105.66 164.21 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.86 40.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -95.2 146.62 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -98.13 108.97 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.1 -108.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.9 p -137.78 149.81 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 9' ' ' LEU . 1.2 pt? -114.36 42.83 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.35 151.72 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -141.1 141.39 23.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.691 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 134.04 27.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.408 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.8 t -88.69 124.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -87.57 145.93 25.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.64 142.18 43.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -103.14 152.99 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -44.14 145.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.83 133.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -76.58 -39.0 53.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' HB3' ' C ' ' A' ' 50' ' ' GLY . 24.4 tt0 -149.44 129.23 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.66 0.743 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 150.66 67.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 54.0 Cg_endo -69.76 112.04 2.97 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.382 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -120.93 120.69 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.34 94.06 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' CD ' HE22 ' A' ' 49' ' ' GLN . 10.6 mmm180 -78.62 108.65 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' A' ' 107' ' ' ALA . 7.6 mt -105.83 134.03 19.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.54 0.686 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.73 156.27 63.84 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.04 -24.74 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 12.1 p-80 -79.7 -4.79 53.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HG23 ' A' ' 109' ' ' ILE . 25.1 mt -113.98 2.39 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -88.41 -0.99 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -133.16 -74.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -166.54 144.48 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 44' ' ' LEU . 3.1 t80 -98.58 103.61 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.5 mm -85.93 125.14 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.5 mmp_? -148.35 159.54 43.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -94.22 146.87 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.743 HG12 ' CG1' ' A' ' 113' ' ' VAL . 10.3 m -61.57 157.2 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.24 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.35 142.64 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.47 132.38 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.76 148.43 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -147.25 110.22 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.608 ' CD1' HD11 ' A' ' 111' ' ' ILE . 69.7 mt -124.99 100.38 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG23 HG22 ' A' ' 80' ' ' VAL . 8.1 p -101.86 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 109' ' ' ILE . 2.4 t -112.18 101.64 52.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.662 0.744 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 143.22 49.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -144.35 149.9 36.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.413 HE22 ' CD ' ' A' ' 25' ' ' ARG . 28.8 mp0 -107.06 158.52 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' C ' ' HB3' ' A' ' 20' ' ' GLU . . . 153.77 157.03 7.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mttm -158.75 160.65 29.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.82 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.317 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -130.87 93.42 31.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 141.69 45.99 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.7 tp60 -88.99 144.82 25.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 57' ' ' VAL . 72.2 t -111.21 153.82 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' HG12 ' A' ' 56' ' ' VAL . 58.2 t -138.31 126.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -122.83 119.17 29.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.8 p -148.97 131.36 15.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' HD2' ' CE1' ' A' ' 94' ' ' TYR . 58.0 tttm -98.04 85.39 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.52 54.04 5.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.45 41.57 97.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.15 145.58 10.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.562 0.696 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.94 2.09 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.74 174.75 5.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.72 80.65 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.6 p -51.5 -46.04 63.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -106.65 -41.1 5.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.07 143.17 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -124.21 106.64 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.2 t -112.75 118.34 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -101.24 98.07 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 m -95.7 128.49 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -130.81 149.74 52.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -19.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -87.9 -63.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -149.1 162.66 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -101.03 152.14 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.753 HG22 HG23 ' A' ' 45' ' ' VAL . 64.8 t -138.73 136.82 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.735 ' CE1' HG23 ' A' ' 83' ' ' VAL . 20.6 t80 -119.21 130.8 55.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -133.64 152.41 51.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.0 t -142.74 116.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 83' ' ' VAL . 9.4 ttt180 -36.87 -67.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -132.99 128.84 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.31 160.61 32.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -163.28 140.03 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' ALA . 57.6 mtm-85 -36.41 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.5 t -61.65 -54.32 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.31 -37.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 p -43.68 111.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.46 -150.4 6.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.627 ' OE2' HG21 ' A' ' 108' ' ' THR . 15.9 tt0 -133.23 109.14 9.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE1' ' HD2' ' A' ' 60' ' ' LYS . 2.9 m-85 -87.26 157.89 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -132.54 134.78 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.12 111.45 14.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 m -126.5 128.15 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 55' ' ' GLN . 26.6 t -97.8 114.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -93.72 118.44 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.68 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.1 mm -114.6 160.37 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.1 mm-40 -30.77 -55.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.86 -30.48 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.472 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 85.6 mmm -84.15 162.51 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -159.98 151.91 20.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.87 154.78 46.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.8 p -135.97 158.74 43.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 26' ' ' LEU . . . -165.15 156.98 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.627 HG21 ' OE2' ' A' ' 93' ' ' GLU . 39.2 m -130.23 109.81 11.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.761 HG23 HD22 ' A' ' 30' ' ' LEU . 47.8 mt -94.62 116.81 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.17 131.66 39.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 44' ' ' LEU . 66.7 mt -127.93 134.64 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -120.72 130.2 53.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.743 ' CG1' HG12 ' A' ' 38' ' ' VAL . 58.3 t -108.52 126.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.2 m -118.16 137.33 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -50.73 149.11 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -65.98 131.41 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -165.46 158.0 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -173.3 172.92 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -163.61 176.46 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.21 172.99 43.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -153.03 165.43 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -173.06 148.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.88 145.52 17.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 p -119.5 128.27 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 mt -152.26 151.84 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.2 146.61 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 67.1 mt-30 -155.65 105.12 2.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.656 0.741 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 11' ' ' GLN . 53.2 Cg_endo -69.78 141.78 46.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -79.3 139.56 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.4 m -128.04 145.63 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm -102.46 120.68 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -86.97 27.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -70.49 147.14 49.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 102' ' ' ASN . 23.9 mt -68.49 152.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.09 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -100.91 -31.52 11.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -157.81 133.8 6.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.99 64.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.8 Cg_endo -69.75 150.98 68.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.14 119.78 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 98' ' ' VAL . 52.7 mt -92.74 91.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -70.96 109.62 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.69 138.91 26.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.76 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -108.52 -6.04 16.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.484 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 10.4 p80 -95.2 -22.9 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.113 HD21 HD22 ' A' ' 44' ' ' LEU . 26.8 mt -82.72 -36.5 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -42.15 -29.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' THR . 20.5 mm-40 -108.65 138.57 44.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' GLN . 62.3 m -34.8 109.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.58 105.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.4 mm -89.34 118.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -143.81 141.12 30.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -75.7 162.64 28.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 113' ' ' VAL . 3.1 m -77.54 150.9 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.36 -35.22 2.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -63.43 166.33 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.08 156.81 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.662 HD12 ' HB ' ' A' ' 83' ' ' VAL . 15.1 mt -118.85 145.57 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -149.15 114.52 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.113 HD22 HD21 ' A' ' 30' ' ' LEU . 75.6 mt -128.59 106.49 9.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.17 95.97 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.99 101.78 13.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 139.98 41.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 78' ' ' ASP . 9.8 p90 -135.3 162.88 31.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -128.34 156.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.72 163.52 10.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mtmm -154.77 160.64 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.529 0.68 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.75 -49.09 0.24 Allowed 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.324 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -133.44 103.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.626 0.727 . . . . 0.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.76 154.73 67.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.603 ' O ' HG13 ' A' ' 98' ' ' VAL . 10.2 tt0 -97.25 156.25 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.62 HG21 ' CG2' ' A' ' 74' ' ' THR . 53.8 t -128.21 129.33 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.79 120.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 70.9 m95 -113.86 119.67 38.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.1 p -135.42 153.96 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -118.24 77.28 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.44 32.27 34.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.31 54.08 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.31 148.15 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 58' ' ' TRP . 4.8 mt -105.08 166.14 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -96.83 97.48 9.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -63.35 -9.74 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m -73.22 -39.05 65.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.541 ' HG3' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -107.06 -22.77 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.541 HG23 ' HG3' ' A' ' 69' ' ' ARG . 22.9 t -102.4 142.6 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -119.46 101.98 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.82 102.51 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -88.61 101.11 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 56' ' ' VAL . 7.2 m -100.5 107.96 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 1.9 m -80.54 171.65 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -78.91 -1.42 35.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.55 -37.1 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -144.59 165.31 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 9.2 t -119.82 136.97 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -122.74 148.03 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 83' ' ' VAL . 27.6 t80 -129.46 130.99 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.6 t80 -136.64 154.35 50.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.662 ' HB ' HD12 ' A' ' 42' ' ' LEU . 47.4 t -142.67 132.51 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -52.79 -59.93 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -125.32 128.3 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -89.13 55.92 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 113' ' ' VAL . . . -50.96 166.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.747 ' HD2' HG11 ' A' ' 38' ' ' VAL . 1.8 mpp_? -59.26 -33.29 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -60.57 -43.02 97.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.67 -29.52 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 p -52.25 110.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -170.52 -154.55 9.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -127.66 118.36 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.48 127.21 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -102.23 114.97 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.9 tp -105.48 117.53 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.484 ' OG ' HG22 ' A' ' 106' ' ' THR . 27.1 m -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 55' ' ' GLN . 19.3 t -101.25 118.34 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 9.6 tt0 -97.58 119.01 35.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.588 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.8 mm -111.93 160.25 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.535 ' N ' HG22 ' A' ' 100' ' ' ILE . 46.1 mm-40 -30.8 -55.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.523 ' HB3' HD11 ' A' ' 18' ' ' ILE . 28.1 t30 -124.82 -32.36 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.516 ' HG3' HD13 ' A' ' 18' ' ' ILE . 49.4 mtp -84.67 167.27 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.61 ' HE2' HG23 ' A' ' 106' ' ' THR . 0.3 OUTLIER -159.74 152.08 20.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -136.57 162.92 31.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.61 HG23 ' HE2' ' A' ' 104' ' ' LYS . 10.5 p -141.01 163.9 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.69 156.35 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.6 m -127.69 133.63 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.5 mt -121.54 136.09 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -107.92 128.25 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.59 132.53 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 ttt85 -125.13 129.78 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 38' ' ' VAL . 44.1 t -103.0 130.43 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 38' ' ' VAL . 23.8 m -120.28 143.76 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' LYS . 37.6 mt-10 -67.45 136.39 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' GLU . 23.5 mtmm -36.47 -46.63 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -174.57 178.59 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -140.32 117.07 10.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -135.76 138.88 43.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.43 58.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -158.21 108.11 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -134.75 133.4 39.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.27 58.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -83.86 38.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.48 111.73 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.55 89.42 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.34 126.88 27.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 127.13 14.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.3 t -136.9 107.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -77.81 127.02 31.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 15' ' ' ILE . 67.2 mt -118.07 35.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -102.91 160.27 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -130.1 154.62 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 51' ' ' LYS . 58.8 mt -55.31 138.09 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -52.78 -47.8 67.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 18' ' ' ILE . 5.7 tp10 -150.79 132.11 7.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 158.36 57.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.6 Cg_endo -69.74 116.37 4.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 4.4 tppt? -124.19 101.74 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.544 HD11 HG23 ' A' ' 98' ' ' VAL . 91.3 mt -82.69 103.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 23' ' ' LYS . 1.5 mpt_? -81.75 130.49 35.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.38 138.41 23.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 54.0 Cg_endo -69.73 -170.11 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.92 -2.03 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.534 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 20.9 p-80 -102.81 -8.98 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD22 ' A' ' 44' ' ' LEU . 33.4 mt -107.99 -2.76 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.43 -42.78 82.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.08 -74.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -165.11 135.65 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.726 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 t80 -83.34 97.63 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 mm -82.51 120.13 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -146.64 143.57 28.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -81.41 148.47 29.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' CG1' ' A' ' 113' ' ' VAL . 6.8 m -59.73 157.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.55 -49.32 3.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -49.87 143.72 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.48 126.02 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.1 mt -80.08 143.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -149.09 105.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 34' ' ' TYR . 91.6 mt -119.11 118.27 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.4 92.46 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 t -103.1 101.83 24.28 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.96 40.1 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -165.48 150.62 9.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -117.16 162.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.7 159.74 9.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 21.3 mtmm -156.49 160.82 30.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.0 Cg_endo -69.74 -45.98 0.39 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.382 -0.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 48.4 ttt180 -134.93 93.82 17.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.75 133.27 25.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -93.31 129.19 39.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 96' ' ' LEU . 94.1 t -97.18 141.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.45 135.56 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB3' HD11 ' A' ' 65' ' ' LEU . 68.4 m95 -121.51 124.21 43.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -142.87 135.15 27.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 14.9 tptp -109.01 96.25 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.93 -33.35 4.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.65 47.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -170.64 154.75 4.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.571 0.7 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.5 Cg_endo -69.78 120.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 67' ' ' THR . 33.0 mt -39.26 146.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -28.84 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' LEU . 80.6 p 48.64 34.67 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 p -121.5 -37.01 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -115.1 -22.54 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 72' ' ' VAL . 73.8 t -89.45 135.99 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -107.05 84.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 70' ' ' VAL . 82.3 t -86.74 100.77 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -88.67 95.98 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.464 HG21 ' HB ' ' A' ' 56' ' ' VAL . 19.5 m -100.34 126.86 46.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' ASP . 22.3 p -122.56 142.24 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' SER . 18.0 t0 -36.72 -40.3 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -70.38 -73.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.89 160.6 37.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -99.74 156.11 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.54 128.1 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 10.8 t80 -117.52 137.2 52.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -150.99 152.98 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' CZ ' ' A' ' 81' ' ' PHE . 80.6 t -138.07 122.56 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 10.3 tpt180 -34.4 -66.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -132.39 124.33 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.21 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . . . -158.18 141.16 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 5.9 mmm180 -37.23 -34.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -56.88 -54.74 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' SER . 56.2 m-20 -42.47 -46.47 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 90' ' ' ASP . 5.1 p -35.7 119.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.03 -148.5 8.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' CD ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -132.61 114.34 14.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.3 m-85 -91.01 131.66 36.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -107.79 112.33 24.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 56' ' ' VAL . 46.9 tp -103.09 111.54 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -121.37 134.11 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.544 HG23 HD11 ' A' ' 24' ' ' ILE . 58.4 t -100.3 117.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 54' ' ' PRO . 2.9 mm -107.23 160.14 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 100' ' ' ILE . 24.7 mt-10 -31.73 -58.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -124.22 -27.34 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 80.7 mmm -85.85 165.83 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -159.89 140.99 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.71 155.8 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 47.1 p -136.19 153.74 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.62 146.91 25.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.542 HG23 ' CD ' ' A' ' 93' ' ' GLU . 94.5 m -115.09 137.46 51.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.8 mt -131.65 116.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -92.48 121.66 34.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 94' ' ' TYR . 97.6 mt -113.85 136.92 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -125.85 127.82 46.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.692 ' CG1' HG12 ' A' ' 38' ' ' VAL . 92.2 t -111.03 115.11 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 38' ' ' VAL . 32.0 m -104.12 147.14 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.24 173.22 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -103.47 41.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.18 131.58 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 61.21 41.88 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -141.53 128.76 21.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.65 82.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -168.97 125.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -114.36 130.18 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 174.42 26.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 9' ' ' LEU . 9.7 t -121.79 -41.75 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' N ' HG23 ' A' ' 8' ' ' THR . 23.2 mt -80.24 90.26 5.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.3 43.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -125.98 151.47 71.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 150.19 67.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.93 70.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -156.44 153.34 28.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -106.92 134.73 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -117.05 163.83 15.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -140.2 150.13 43.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.569 HD13 ' HG3' ' A' ' 103' ' ' MET . 54.4 mt -64.81 153.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -88.99 -46.92 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 11.7 tp10 -153.66 132.81 7.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.1 63.92 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 152.62 69.12 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -165.97 110.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -82.85 94.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.1 mmm180 -73.93 102.3 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.73 137.37 33.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -98.32 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -81.37 -11.47 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.08 20.41 17.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -89.83 -36.4 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -102.89 -72.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -165.67 145.49 6.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -95.06 100.89 12.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 mm -89.17 118.26 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -135.46 159.83 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -91.61 160.85 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.13 144.85 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.06 -39.9 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.51 160.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -87.55 137.29 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 15.2 mt -98.1 144.76 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -149.18 105.45 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.19 99.99 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -95.19 91.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.11 101.86 52.72 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.77 36.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -131.03 152.05 50.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 30.8 mm100 -120.35 156.86 30.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.98 150.98 5.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 2.4 mptp? -141.16 159.33 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.77 -49.22 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.379 -0.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -133.75 101.71 12.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.72 121.26 7.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -72.69 132.76 44.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.23 136.18 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.4 t -131.47 117.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.419 ' HB3' HD11 ' A' ' 65' ' ' LEU . 57.7 m95 -102.29 124.15 47.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.8 p -146.0 131.55 18.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -87.17 84.45 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.31 -42.08 3.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.31 41.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.68 155.01 21.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 58' ' ' TRP . 7.8 mt -106.54 173.95 6.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -112.83 90.38 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -51.53 -17.9 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -53.4 -34.29 57.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -125.05 -27.85 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 69' ' ' ARG . 70.4 t -86.92 146.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -123.22 116.42 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.1 t -123.8 112.56 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -103.73 97.9 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -92.01 146.64 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -141.47 142.11 33.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.18 -35.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -72.95 -64.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -145.29 166.09 26.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -98.55 156.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -141.59 125.81 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 55.6 t80 -117.06 129.6 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -130.66 156.03 45.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.1 t -145.48 119.15 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 83' ' ' VAL . 39.0 ttt180 -35.68 -68.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -128.12 139.22 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.44 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . . . -99.29 92.89 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.72 150.06 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' ALA . 18.0 mmm180 -36.31 -35.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.74 -49.62 76.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ALA . 2.0 m-20 -39.46 -43.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -39.9 108.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.97 -148.75 5.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -133.17 114.52 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.66 118.66 34.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -93.44 119.71 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 64.7 tp -101.34 111.48 23.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.89 155.96 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -134.54 122.81 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.401 ' O ' HD13 ' A' ' 100' ' ' ILE . 6.7 tt0 -94.21 145.06 24.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 54' ' ' PRO . 11.2 mm -144.48 160.2 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 100' ' ' ILE . 5.6 mm-40 -32.9 -72.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.512 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.6 t-20 -121.99 27.8 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.3 mtp -144.22 163.04 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -157.3 152.65 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.71 157.67 46.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -142.12 156.53 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.26 167.84 27.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 99.4 m -129.89 144.37 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -132.48 111.19 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -89.22 121.51 31.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.1 mt -115.92 134.82 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -130.8 134.31 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.4 t -116.37 123.7 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.87 139.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -56.7 132.48 52.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.3 OUTLIER -76.08 -37.16 58.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 155.79 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 78.3 p 35.57 42.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.899 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -134.33 103.01 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.86 124.71 7.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -99.3 136.37 39.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -83.2 -51.38 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 171.0 35.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.51 139.48 39.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.8 tt 66.86 37.36 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' C ' ' HG3' ' A' ' 11' ' ' GLN . . . 55.55 38.08 29.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 65.4 mt-30 -151.03 138.22 11.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.74 40.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.504 ' O ' HD13 ' A' ' 15' ' ' ILE . 82.4 t -75.81 121.98 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.2 m -40.75 125.66 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 13' ' ' VAL . 19.8 mm -102.47 157.91 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' N ' HG22 ' A' ' 15' ' ' ILE . 3.6 ttm180 -90.1 25.32 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -80.37 152.12 29.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD13 ' HG3' ' A' ' 103' ' ' MET . 64.9 mt -42.07 142.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -86.82 -42.46 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 3.6 tp10 -151.39 128.6 5.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.9 68.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.74 148.7 65.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.4 tmtm? -160.45 112.89 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.9 mt -84.35 103.44 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -90.21 121.57 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 mt -97.68 139.34 21.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.721 ' CD ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.71 -171.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.744 2.296 . . . . 0.0 112.352 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -98.4 -5.68 32.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 14.4 p80 -99.92 -5.15 28.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 44' ' ' LEU . 20.8 mt -102.23 -28.69 12.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 31' ' ' ARG . 14.5 mtp-105 -48.92 -33.5 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -106.63 149.42 27.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -41.39 115.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CE1' HD21 ' A' ' 44' ' ' LEU . 5.4 t80 -63.25 112.29 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.77 118.87 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -146.09 147.13 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -81.92 157.54 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.774 HG12 ' CG1' ' A' ' 113' ' ' VAL . 4.8 m -70.87 154.78 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.15 -43.83 2.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.76 145.67 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.93 132.5 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.2 mt -99.34 147.28 25.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -146.35 123.19 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 30' ' ' LEU . 44.9 mt -138.6 108.24 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 45' ' ' VAL . 10.4 p -102.65 105.79 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.192 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.3 t -104.1 101.74 27.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 154.25 68.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 56' ' ' VAL . 30.8 p90 -154.22 143.0 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 80.8 mm-40 -106.37 160.86 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 51' ' ' LYS . . . 143.17 153.58 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 5.3 mptt -143.61 160.74 49.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.76 -48.2 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.34 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -133.93 96.11 16.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.613 ' HB3' HD11 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.76 122.26 8.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -70.43 158.86 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 96' ' ' LEU . 31.6 t -133.52 123.69 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.45 121.03 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HE1' HG21 ' A' ' 79' ' ' THR . 59.9 m95 -102.64 125.39 49.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 p -135.26 151.0 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 11.6 tptm -114.42 81.06 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.94 -39.28 2.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.64 -36.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.759 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -100.52 165.78 13.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.543 0.687 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.759 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 53.4 Cg_endo -69.77 142.76 48.75 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 67' ' ' THR . 80.9 mt -44.59 155.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CG ' ' NH1' ' A' ' 69' ' ' ARG . 3.3 m-20 -53.66 -27.52 27.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' LEU . 72.3 p 46.21 31.59 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -111.17 -40.93 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' NH1' ' CG ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -121.69 -16.77 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -82.83 134.44 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -112.57 103.27 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 74.1 t -106.06 131.02 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -108.54 96.79 6.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -91.39 132.96 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.3 t -130.87 138.7 49.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 p-10 -34.55 -33.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' SER . 18.9 m-85 -80.92 -71.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 2.3 p30 -140.29 157.53 45.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.513 HG21 ' HE1' ' A' ' 58' ' ' TRP . 13.3 t -100.63 160.62 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.0 t -133.31 140.55 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 72.5 t80 -116.99 138.68 51.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -145.05 154.93 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 98.0 t -146.74 112.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -35.2 -59.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.55 122.71 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.29 164.92 21.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -161.22 143.42 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' ALA . 36.4 mtp85 -38.06 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' ALA . 8.0 t -60.44 -54.04 50.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.1 m-20 -37.75 -47.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' ASP . 17.3 m -35.87 117.36 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.28 -146.46 6.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -130.55 108.28 9.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.578 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.0 m-85 -87.82 121.32 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.9 121.93 43.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -110.7 127.88 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.519 ' N ' HD23 ' A' ' 96' ' ' LEU . 72.3 m -133.77 143.09 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.24 130.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -102.41 135.58 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 54' ' ' PRO . 9.2 mm -134.72 160.19 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 100' ' ' ILE . 14.1 mt-10 -32.76 -66.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -126.29 23.01 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 18' ' ' ILE . 48.2 mtp -139.36 161.0 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -155.52 160.98 40.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -141.68 163.32 33.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.9 p -143.61 151.7 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -154.51 155.58 35.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.1 m -123.42 141.98 51.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 87.4 mt -136.61 136.25 48.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -110.0 123.53 49.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -115.99 130.52 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -124.09 131.61 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.774 ' CG1' HG12 ' A' ' 38' ' ' VAL . 34.9 t -114.98 143.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.77 141.48 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -57.88 147.28 29.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.71 167.19 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.25 134.9 44.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -144.4 151.09 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -144.48 151.67 39.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 -132.59 44.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 42.83 41.57 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -82.76 118.32 23.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.05 149.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -119.67 102.02 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.82 34.67 3.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.14 95.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -127.74 90.2 48.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.0 85.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -94.52 140.54 29.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mm -128.0 129.14 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -44.13 149.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.99 143.58 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 mt -78.95 131.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -58.14 -53.5 57.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' ' 21' ' ' PRO . 37.3 tp10 -139.68 136.97 17.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD2' ' CD ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.78 148.66 65.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' CG ' ' HB3' ' A' ' 103' ' ' MET . 53.6 Cg_endo -69.75 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.226 . . . . 0.0 112.348 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.47 120.15 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' OD2' ' A' ' 105' ' ' ASP . 62.4 mt -91.97 105.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 6.1 mmm180 -83.89 113.52 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.36 128.02 30.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.599 0.714 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HD2' HD12 ' A' ' 30' ' ' LEU . 54.1 Cg_endo -69.73 -165.16 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -104.57 -8.32 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.453 ' CE1' ' HG3' ' A' ' 27' ' ' PRO . 12.6 p-80 -89.1 -7.66 55.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.888 HD21 HD22 ' A' ' 44' ' ' LEU . 41.0 mt -105.1 -34.62 7.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -44.36 -45.06 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' THR . 4.8 pp0? -92.82 138.55 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' GLN . 51.0 m -35.2 122.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -67.37 114.6 6.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.1 mm -104.05 118.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -149.17 144.44 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -76.84 161.18 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.624 HG12 ' CG1' ' A' ' 113' ' ' VAL . 3.9 m -74.28 154.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.07 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.08 171.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -96.11 140.58 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' HB2' ' A' ' 86' ' ' ALA . 47.4 mt -96.9 148.19 23.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 4.8 p-10 -148.16 109.58 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.888 HD22 HD21 ' A' ' 30' ' ' LEU . 47.8 mt -129.62 108.58 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 80' ' ' VAL . 95.6 t -110.76 94.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 30' ' ' LEU . 2.7 t -99.34 101.78 14.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 160.41 49.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.402 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CE2' HG21 ' A' ' 56' ' ' VAL . 3.2 p90 -154.36 156.6 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -112.89 173.43 6.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.42 163.88 10.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.5 mtmm -159.39 160.22 28.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.69 -49.27 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.373 -0.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 16.5 mtm105 -133.82 95.73 17.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.704 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.1 Cg_endo -69.73 124.6 11.25 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.642 2.228 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -72.58 139.28 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG13 HD21 ' A' ' 96' ' ' LEU . 91.1 t -107.94 142.74 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -131.52 125.59 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -112.54 120.27 41.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.3 p -140.1 135.89 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -111.51 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.85 3.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.31 44.57 84.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.36 147.87 3.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.718 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.52 63.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.47 158.23 36.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.68 -28.24 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 p 48.04 41.39 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.6 t -131.84 -39.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -117.39 -18.96 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -89.33 137.91 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -117.51 108.33 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 80' ' ' VAL . 6.2 p -126.88 114.0 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -95.33 102.56 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.7 m -87.9 127.71 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -114.92 154.55 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.64 -8.0 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -108.02 -49.59 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -145.95 165.96 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.502 HG21 HD11 ' A' ' 96' ' ' LEU . 2.5 t -119.35 130.03 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.5 t -115.08 136.71 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 19.4 t80 -124.62 137.71 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -147.58 157.54 43.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 61.6 t -146.68 121.27 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -41.0 -60.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -124.47 130.06 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . . . -96.59 81.18 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -77.45 144.69 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 87' ' ' ALA . 37.0 mtp180 -37.37 -32.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' ALA . 46.3 t -54.33 -57.08 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' SER . 1.3 m-20 -36.54 -38.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASP . 25.2 p -38.11 117.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.71 -148.8 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -133.59 112.34 11.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.07 115.31 27.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -102.63 116.9 33.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HG13 ' A' ' 56' ' ' VAL . 1.9 tt -103.97 123.62 47.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.633 ' OG ' HG22 ' A' ' 106' ' ' THR . 73.7 m -129.4 123.15 30.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.02 114.89 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -94.39 134.84 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.704 HD11 ' HB3' ' A' ' 54' ' ' PRO . 15.3 mm -126.32 159.65 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 25.2 mt-10 -34.15 -47.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -130.76 -31.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.442 ' HB3' ' CG ' ' A' ' 22' ' ' PRO . 84.5 mmm -84.49 166.92 16.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -159.63 148.67 17.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.461 ' OD2' HD12 ' A' ' 24' ' ' ILE . 11.6 t0 -135.18 160.24 38.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.633 HG22 ' OG ' ' A' ' 97' ' ' SER . 16.7 p -145.11 147.77 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.21 154.1 34.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.1 m -123.82 140.3 53.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.7 mt -131.99 134.22 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -110.08 128.69 55.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.2 mt -121.26 137.67 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -129.38 133.21 47.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.624 ' CG1' HG12 ' A' ' 38' ' ' VAL . 53.9 t -114.18 131.56 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.4 m -111.41 129.27 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -61.59 130.62 46.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -47.0 94.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.97 119.67 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -138.07 125.57 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -169.89 151.02 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.73 107.69 0.7 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -172.75 167.69 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 p -111.54 129.51 56.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.29 40.27 16.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -135.01 157.26 47.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.173 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.63 108.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.49 148.42 22.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.54 145.87 33.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.708 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.4 t -44.79 109.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -157.75 169.12 25.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.4 mt -75.14 144.05 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -104.8 161.24 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -75.29 150.86 38.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HG2' ' A' ' 103' ' ' MET . 64.5 mt -54.83 139.3 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 51' ' ' LYS . . . -81.07 -45.06 17.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 21' ' ' PRO . 34.6 tt0 -164.39 137.64 4.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.81 148.28 64.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.7 165.64 30.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -173.04 105.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 82.7 mt -78.57 107.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.638 HH11 ' NE2' ' A' ' 49' ' ' GLN . 44.9 mmm-85 -95.5 80.07 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -49.88 141.62 14.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.58 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 53.9 Cg_endo -69.76 -164.58 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -114.59 -0.86 13.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 8.4 p80 -97.43 -30.55 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 44' ' ' LEU . 18.8 mt -79.67 -34.09 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 16.5 mtp-105 -40.72 -37.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' THR . 15.6 pt20 -101.87 140.06 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLN . 3.5 m -35.41 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.49 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.424 HD12 ' HD3' ' A' ' 112' ' ' ARG . 8.1 mm -89.29 120.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.31 148.53 29.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -71.08 161.01 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 87' ' ' ALA . 7.1 p -73.69 143.83 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.86 -10.69 17.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -72.73 148.55 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.51 132.66 48.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 86' ' ' ALA . 44.7 mt -99.56 144.95 28.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -146.82 106.92 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 30' ' ' LEU . 73.1 mt -127.89 104.08 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.82 97.42 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 t -100.76 102.19 18.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.742 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.58 57.66 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -140.02 141.58 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.638 ' NE2' HH11 ' A' ' 25' ' ' ARG . 20.5 mt-30 -101.53 170.31 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.7 162.5 10.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 42.4 mttt -157.7 157.58 29.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.77 -51.02 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.339 -0.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 3.7 tmm_? -135.09 94.48 15.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.807 ' HB3' HD11 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.72 127.26 14.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.568 ' O ' HG13 ' A' ' 98' ' ' VAL . 22.3 tt0 -70.01 136.62 50.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.702 HG13 HD21 ' A' ' 96' ' ' LEU . 62.5 t -111.24 139.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.7 134.22 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.979 ' CZ2' HD12 ' A' ' 96' ' ' LEU . 58.4 m95 -117.48 132.19 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 p -139.8 150.17 44.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 94' ' ' TYR . 27.4 tptp -113.67 89.99 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.83 38.88 76.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 50.09 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB1' ' HD2' ' A' ' 64' ' ' PRO . . . -171.61 156.19 4.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 54.0 Cg_endo -69.71 158.58 56.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 58' ' ' TRP . 18.5 mt -96.22 177.01 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' THR . 3.6 m-20 -114.06 77.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 66' ' ' ASP . 63.0 p -37.21 -37.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -43.85 -47.03 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.37 132.59 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -116.14 87.12 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.55 127.2 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -101.04 154.59 18.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -133.17 121.3 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -120.1 135.14 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.63 -40.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -70.86 -59.44 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -151.3 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.58 HG21 HD11 ' A' ' 96' ' ' LEU . 11.2 t -99.94 154.1 18.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.01 134.56 57.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -116.9 129.28 55.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -143.23 154.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 73.0 t -141.54 134.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -57.06 -43.65 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' H ' HG12 ' A' ' 83' ' ' VAL . 8.7 pt20 -147.41 123.45 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 42' ' ' LEU . . . -94.57 89.79 5.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.81 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -80.34 153.09 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' ALA . 53.7 mtm-85 -37.05 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ALA . 48.1 t -69.97 -51.79 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -43.11 -35.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.599 ' HB2' HG23 ' A' ' 113' ' ' VAL . 2.2 t -57.9 140.72 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.81 -139.64 5.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.32 119.61 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 60' ' ' LYS . 3.7 m-85 -97.85 150.27 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -133.36 116.52 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.979 HD12 ' CZ2' ' A' ' 58' ' ' TRP . 5.4 tt -106.55 115.28 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.467 ' OG ' HG22 ' A' ' 106' ' ' THR . 18.8 m -120.77 125.92 48.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 55' ' ' GLN . 58.4 t -92.65 112.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -95.28 129.93 42.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' PRO . 13.1 mt -133.92 160.4 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 12.9 mt-10 -26.2 -68.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -119.1 -17.88 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.493 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 92.9 mmm -91.86 156.79 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -154.89 159.1 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.483 ' N ' ' HD2' ' A' ' 104' ' ' LYS . 6.3 t0 -149.68 158.39 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.467 HG22 ' OG ' ' A' ' 97' ' ' SER . 20.7 p -143.94 158.67 43.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.13 161.13 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -130.39 151.69 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.588 HG23 HD22 ' A' ' 30' ' ' LEU . 74.6 mt -141.59 136.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -104.54 125.53 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 44' ' ' LEU . 34.4 mt -126.99 126.9 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' HD12 ' A' ' 35' ' ' ILE . 26.6 ttt180 -122.78 129.55 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' HB2' ' A' ' 91' ' ' SER . 50.3 t -107.99 120.71 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.89 144.29 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -67.33 125.18 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.548 ' H ' HG12 ' A' ' 38' ' ' VAL . 10.9 ptpt -38.11 104.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' LYS . . . -34.44 120.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -172.5 146.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -155.72 144.85 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.57 151.14 11.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.88 161.63 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -39.82 -61.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.02 -103.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -55.84 141.76 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.086 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 pp -142.26 144.05 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.57 164.37 8.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -160.52 136.68 6.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 133.86 26.59 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 15' ' ' ILE . 89.2 t -111.24 127.48 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -109.86 108.91 19.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.445 HG12 HG12 ' A' ' 13' ' ' VAL . 49.6 mm -120.39 138.73 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptt-85 -48.86 159.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -73.17 144.09 46.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 19' ' ' ALA . 84.4 mt -49.27 160.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -104.6 -37.64 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -152.72 134.25 8.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.65 63.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 103' ' ' MET . 53.5 Cg_endo -69.82 136.54 33.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 105.22 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 98' ' ' VAL . 26.3 mt -84.07 97.3 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 5.6 mmm180 -81.91 123.58 28.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.1 131.28 21.9 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 30' ' ' LEU . 53.7 Cg_endo -69.79 -178.69 2.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -82.8 -45.21 14.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 19.1 p-80 -54.3 -18.37 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.702 HD21 HD22 ' A' ' 44' ' ' LEU . 12.7 mt -93.1 -45.01 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' LEU . 40.5 mtm180 -34.7 -40.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -98.62 167.1 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 m -60.25 104.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.84 115.83 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -98.5 125.37 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 114' ' ' VAL . 4.5 mmp_? -146.14 154.33 41.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -92.19 159.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 114' ' ' VAL . 59.2 t -67.93 143.29 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.25 -36.53 2.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.64 142.32 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.23 157.95 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.85 142.23 47.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.18 105.0 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.702 HD22 HD21 ' A' ' 30' ' ' LEU . 70.9 mt -127.6 104.35 7.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' VAL . 1.5 p -99.14 105.39 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.3 t -103.07 103.45 34.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.79 61.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 56' ' ' VAL . 24.6 p90 -142.32 143.74 32.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -114.32 155.14 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.97 157.93 8.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.649 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 9.2 mttm -147.78 160.78 37.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.81 -50.9 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -131.64 95.99 21.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.608 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.78 136.26 32.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.291 . . . . 0.0 112.359 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' O ' HG13 ' A' ' 98' ' ' VAL . 3.1 tp-100 -79.61 151.27 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 96' ' ' LEU . 80.1 t -125.38 125.33 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.2 t -123.81 124.29 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -111.95 118.35 35.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 p -140.83 154.18 46.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -112.54 89.4 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.08 35.98 60.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.0 43.69 10.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.91 144.53 16.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 162.39 42.23 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -105.65 172.8 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' SER . 55.6 m-20 -104.47 76.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . 66.1 p -36.86 -31.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' ASP . 38.2 t -48.21 -50.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.69 -34.34 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -82.9 118.46 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -105.96 118.75 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.9 119.45 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.759 ' CB ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -88.18 96.4 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 m -105.16 117.75 34.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -119.72 179.86 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.85 7.13 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -120.52 -60.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 11.3 p-10 -146.36 165.56 28.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -119.26 142.58 47.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.759 HG22 ' CB ' ' A' ' 73' ' ' ARG . 0.8 OUTLIER -121.93 154.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.606 ' CZ ' ' CG2' ' A' ' 83' ' ' VAL . 63.6 t80 -118.48 129.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -131.06 151.88 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.606 ' CG2' ' CZ ' ' A' ' 81' ' ' PHE . 75.5 t -147.41 127.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -55.54 -51.42 67.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -139.77 126.42 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.98 92.36 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' ASP . . . -87.29 141.37 28.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ALA . 55.3 mtp85 -35.6 -40.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.1 m -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -40.09 -47.2 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.7 p -42.53 109.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.33 -144.97 4.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.39 103.5 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -88.01 120.57 29.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -106.27 118.68 37.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 56' ' ' VAL . 49.6 tp -101.92 114.97 29.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.07 153.45 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 24' ' ' ILE . 48.1 t -128.07 108.87 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -90.19 120.76 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' HA ' ' A' ' 54' ' ' PRO . 6.1 mm -118.25 160.32 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.532 ' N ' HG22 ' A' ' 100' ' ' ILE . 6.8 mm-40 -31.36 -59.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -125.93 -21.32 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.475 ' HB3' ' CD ' ' A' ' 22' ' ' PRO . 56.1 mmm -90.95 166.17 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 105' ' ' ASP . 1.9 tmtm? -159.85 152.25 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 8.2 t0 -143.87 164.63 29.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -146.57 165.47 29.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -161.75 157.87 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.4 m -130.62 131.03 44.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 30' ' ' LEU . 57.2 mt -125.69 122.17 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -104.3 122.51 45.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 112' ' ' ARG . 92.0 mt -113.65 151.91 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 111' ' ' ILE . 41.5 ttt180 -135.67 131.68 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -112.1 124.89 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 36' ' ' ARG . 33.1 m -108.05 140.28 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.69 152.87 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -77.01 160.72 28.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.3 133.26 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -164.88 136.38 4.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -172.18 175.24 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.4 110.91 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -155.41 146.84 22.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -148.4 161.4 41.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.99 130.93 2.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -127.84 119.54 25.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 pp -140.33 139.68 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.86 92.71 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 23.2 tt0 -42.13 141.39 1.39 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 11' ' ' GLN . 54.1 Cg_endo -69.73 175.92 7.43 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.76 125.14 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.6 t -97.15 153.98 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 mt -119.91 127.71 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.11 35.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -115.24 145.59 42.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.1 mt -82.19 141.6 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -85.8 -49.99 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -135.88 130.76 18.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.54 69.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' CG ' HG13 ' A' ' 100' ' ' ILE . 53.9 Cg_endo -69.78 134.16 27.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -149.12 113.02 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.35 95.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -78.91 95.27 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.22 141.05 53.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.606 0.717 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.686 ' CG ' HD12 ' A' ' 30' ' ' LEU . 53.8 Cg_endo -69.73 -167.04 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -113.18 -13.0 13.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -88.03 -15.17 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.686 HD12 ' CG ' ' A' ' 27' ' ' PRO . 96.0 mt -96.33 -36.39 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' LEU . 79.6 mtt-85 -38.07 -45.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' THR . 11.5 pt20 -87.61 146.35 25.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' GLN . 17.9 m -35.6 110.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -71.26 113.0 7.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.33 131.22 48.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -145.3 148.34 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -89.13 158.22 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.43 142.26 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.16 -45.65 3.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.49 133.56 40.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.7 162.53 10.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.15 145.09 43.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -148.42 108.75 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.21 105.59 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.95 91.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.27 101.78 43.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 154.76 67.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.25 160.66 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -122.09 166.67 14.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.94 152.42 5.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.1 mttt -149.48 160.49 34.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.717 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.3 Cg_endo -69.77 -49.13 0.24 Allowed 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.393 -0.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttp-105 -132.16 95.92 20.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 100' ' ' ILE . 54.0 Cg_endo -69.73 122.67 9.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -64.37 152.59 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -129.69 126.63 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -123.71 141.18 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 96' ' ' LEU . 34.3 m95 -127.68 118.73 24.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.4 p -145.35 134.84 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -107.06 80.17 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.87 50.94 3.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.26 62.93 5.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.39 145.49 1.49 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.45 3.7 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.268 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.5 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.459 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 3.1 p30 -112.41 83.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.4 p -48.82 -32.69 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.5 m -41.67 -51.48 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' NE ' ' HB2' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -98.25 -40.39 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 72' ' ' VAL . 53.5 t -82.53 125.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -107.61 85.09 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG23 HG12 ' A' ' 70' ' ' VAL . 97.4 t -86.36 108.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -90.64 97.03 10.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -94.42 124.3 38.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -108.95 143.72 37.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -48.04 -35.57 11.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 75' ' ' SER . 17.3 p90 -81.82 -53.01 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' OD1' ' CE2' ' A' ' 77' ' ' PHE . 39.5 p30 -136.35 166.57 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -113.75 132.68 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.84 139.63 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.726 ' CE1' HG23 ' A' ' 83' ' ' VAL . 26.4 t80 -121.73 130.69 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -135.2 150.61 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 81' ' ' PHE . 95.5 t -142.36 121.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' VAL . 8.7 ttt85 -36.03 -58.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -135.66 138.3 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.01 73.51 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.67 166.99 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 21.2 mtm105 -70.7 -24.84 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -72.15 -23.8 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.47 -38.0 65.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -41.75 140.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.22 -151.05 18.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.34 104.71 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.635 ' CD1' HD12 ' A' ' 111' ' ' ILE . 5.3 m-85 -87.19 120.11 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -102.32 119.13 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HB2' ' CH2' ' A' ' 58' ' ' TRP . 27.7 tp -99.79 119.35 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.78 167.04 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.1 t -145.61 108.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -90.95 131.85 36.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 54' ' ' PRO . 3.8 mm -123.44 160.53 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 100' ' ' ILE . 4.0 mm-40 -29.7 -49.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -132.55 -33.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 40.1 mtp -84.97 166.26 16.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -159.79 151.42 20.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.75 158.24 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 p -140.2 161.22 38.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.6 158.59 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 54.7 m -129.71 139.71 51.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' TYR . 80.9 mt -130.02 138.38 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -109.43 127.81 54.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.635 HD12 ' CD1' ' A' ' 94' ' ' TYR . 63.1 mt -125.63 132.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.16 127.53 43.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.02 131.17 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.48 135.62 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' LYS . 12.2 mt-10 -61.68 121.79 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLU . 10.6 ptpt -36.9 -43.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.84 141.99 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -126.24 142.55 51.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -124.99 104.39 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.6 60.85 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.3 p -73.68 -42.32 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -91.11 86.63 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 48.47 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.84 122.2 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.814 0.34 . . . . 0.0 111.118 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -102.13 103.77 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.46 120.89 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 10.6 mm-40 -131.95 97.63 18.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 11' ' ' GLN . 53.9 Cg_endo -69.72 126.37 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -141.75 127.92 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -162.33 157.55 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -125.36 132.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -75.63 142.47 42.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -89.41 149.03 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 20' ' ' GLU . 87.7 mt -38.33 145.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . . . -81.01 -32.16 34.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 18' ' ' ILE . 29.1 tt0 -163.32 133.63 3.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.739 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.22 69.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.38 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 154.78 67.48 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HE2' ' CZ ' ' A' ' 25' ' ' ARG . 5.4 tptm -164.08 115.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.5 mt -86.78 105.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' CZ ' ' HE2' ' A' ' 23' ' ' LYS . 2.0 mmp_? -89.86 87.99 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 5.5 mt -93.36 139.11 22.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.542 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 53.8 Cg_endo -69.74 151.46 69.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -67.06 -12.98 61.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.586 ' CD2' ' HG ' ' A' ' 30' ' ' LEU . 6.1 p-80 -87.61 -6.25 58.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' CD2' ' A' ' 29' ' ' HIS . 14.4 mt -107.06 -35.28 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -57.09 -40.99 78.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.27 -75.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 34' ' ' TYR . 89.3 m -167.15 163.72 15.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' THR . 2.6 t80 -127.55 110.55 12.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CD1' ' HD3' ' A' ' 112' ' ' ARG . 2.7 mm -99.78 125.7 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -150.96 138.85 19.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -67.63 166.0 15.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 114' ' ' VAL . 42.5 t -77.45 148.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.45 -37.35 3.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.8 145.59 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -75.12 130.83 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.478 ' OD1' HG23 ' A' ' 45' ' ' VAL . 38.7 t-20 -145.41 106.5 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 30' ' ' LEU . 35.0 mt -114.9 102.36 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.478 HG23 ' OD1' ' A' ' 43' ' ' ASN . 85.4 t -100.08 97.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.01 101.66 22.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.72 51.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 16.5 p90 -132.52 141.98 48.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.569 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 4.2 mp0 -104.79 171.13 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.16 167.96 12.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 19.4 mttt -154.36 160.07 31.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 -43.91 0.56 Allowed 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.351 -0.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -139.43 105.04 7.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HA ' HD13 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.81 155.89 64.62 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -97.51 159.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.34 130.55 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.54 120.73 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 72.2 m95 -112.82 120.36 41.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 p -141.99 135.87 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 94' ' ' TYR . 15.3 mtpt -85.23 36.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.2 40.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.75 64.96 1.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.78 146.46 1.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.524 0.678 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.26 20.92 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 58' ' ' TRP . 13.1 mt -72.57 148.98 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -78.02 103.31 7.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.9 p -77.33 48.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -129.74 -32.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -120.29 -23.53 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 72' ' ' VAL . 59.9 t -88.12 138.22 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -123.51 82.14 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 HG12 ' A' ' 70' ' ' VAL . 66.6 t -88.31 120.43 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -108.75 95.95 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.7 m -86.59 126.34 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 77' ' ' PHE . 1.4 t -113.92 137.69 51.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -39.96 -28.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' SER . 46.8 m-85 -82.17 -59.69 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 13.7 p-10 -147.33 163.67 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -97.83 142.23 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.07 134.36 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.653 ' CE1' HG23 ' A' ' 83' ' ' VAL . 24.3 t80 -120.94 132.03 54.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -137.99 151.7 48.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 81' ' ' PHE . 85.5 t -137.94 123.1 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' VAL . 12.0 tpt180 -36.46 -64.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.68 129.81 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.08 108.31 5.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.69 141.66 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -45.09 -23.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -72.97 -46.36 52.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.59 -35.27 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 m -46.73 108.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.72 -149.83 5.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.599 ' CD ' HG23 ' A' ' 108' ' ' THR . 13.2 tt0 -128.19 112.01 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CE1' HD12 ' A' ' 111' ' ' ILE . 4.8 m-85 -91.86 117.91 30.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.37 110.35 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 96' ' ' LEU . 2.2 tm? -96.41 121.47 38.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 106' ' ' THR . 19.5 m -129.12 143.75 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.01 110.38 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -91.02 117.29 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.607 HD13 ' HA ' ' A' ' 54' ' ' PRO . 8.5 mm -111.11 160.06 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' N ' HG22 ' A' ' 100' ' ' ILE . 36.7 mm-40 -32.32 -53.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -126.76 -27.47 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.477 ' HG2' ' CD1' ' A' ' 18' ' ' ILE . 86.4 mmm -86.49 162.81 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 106' ' ' THR . 5.8 tmtt? -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.65 162.16 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 97' ' ' SER . 3.8 p -143.84 163.21 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -162.01 160.57 27.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.599 HG23 ' CD ' ' A' ' 93' ' ' GLU . 72.2 m -130.37 121.49 26.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 110' ' ' ARG . 73.5 mt -108.76 155.73 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' N ' HG22 ' A' ' 109' ' ' ILE . 53.9 mtt180 -129.37 121.39 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 94' ' ' TYR . 84.0 mt -118.32 138.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 35' ' ' ILE . 36.1 ttt180 -134.15 133.43 41.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.4 t -116.37 151.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 38' ' ' VAL . 11.4 m -137.64 153.47 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.58 129.65 41.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.31 -50.82 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.78 88.0 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.934 . . . . . . . . 0 0 . 1 stop_ save_